490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	1:1:1:1:	4:	4:	Cl-1:H-1:H-1:I-1:	C-4:	C-4:	C(Cl)(H)2(I)	I(CClHH)	H(CClHI)	C(Cl)(H)2(I)	I(CClHH)	H(CClHI)	108.7302	0.369	6	108.7302	0.136	6	108.7302	0.136	6	108.6741	1.312	73	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	1:1:1:1:	4:	4:	H-1:H-1:H-1:I-1:	C-4:	C-4:	C(H)3(I)	I(CH3)	H(CHHI)	C(H)3(I)	I(CH3)	H(CHHI)	109.4492	0.113	35	109.4492	0.013	35	109.4492	0.013	35	108.6741	1.312	73	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	1:1:1:1:	4:	4:	H-1:H-1:I-1:I-1:	C-4:	C-4:	C(H)2(I)2	I(CHHI)	H(CHII)	C(H)2(I)2	I(CHHI)	H(CHII)	108.3704	1.182	18	108.3704	1.398	18	108.3704	1.398	18	108.6741	1.312	73	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	1:1:1:1:	4:	4:	H-1:I-1:I-1:I-1:	C-4:	C-4:	C(H)(I)3	I(CHII)	H(CI3)	C(H)(I)3	I(CHII)	H(CI3)	107.1026	0.972	14	107.1026	0.945	14	107.1026	0.945	14	108.6741	1.312	73	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	3:1:1:1:	4:	4:	B[5]-3:H-1:I-1:I-1:	C-4:	C-4:	C(B[5]O[5]2)(H)(I)2	I(CB[5]HI)	H(CB[5]II)	C(B[5]O[5]2)(H)(I)2	I(CB[5]HI)	H(CB[5]II)	108.1875	0.016	2	108.1875	0.000	2	108.1875	0.000	2	109.1558	2.917	60	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:I-1:	C-4:	C-4:	C(CCC)(H)2(I)	I(CCHH)	H(CCHI)	C(CCC)(H)2(I)	I(CCHH)	H(CCHI)	109.2602	0.061	4	109.2602	0.004	4	109.5922	0.516	45	109.1558	2.917	60	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:I-1:	C-4:	C-4:	C(CCH)(H)2(I)	I(CCHH)	H(CCHI)	C(CCH)(H)2(I)	I(CCHH)	H(CCHI)	109.7285	0.027	4	109.7285	0.001	4	109.5922	0.516	45	109.1558	2.917	60	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:I-1:	C-4:	C-4:	C(CCI)(H)2(I)	I(CCHH)	H(CCHI)	C(CCI)(H)2(I)	I(CCHH)	H(CCHI)	109.0620	0.076	4	109.0620	0.006	4	109.5922	0.516	45	109.1558	2.917	60	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:I-1:	C-4:	C-4:	C(CC[5]H)(H)2(I)	I(CCHH)	H(CCHI)	C(CC[5]H)(H)2(I)	I(CCHH)	H(CCHI)	109.0075	0.015	2	109.0075	0.000	2	109.5922	0.516	45	109.1558	2.917	60	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:I-1:	C-4:	C-4:	C(CC[5]O)(H)2(I)	I(CCHH)	H(CCHI)	C(CC[5]O)(H)2(I)	I(CCHH)	H(CCHI)	110.2597	0.114	4	110.2597	0.013	4	109.5922	0.516	45	109.1558	2.917	60	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:I-1:	C-4:	C-4:	C(CNO)(H)2(I)	I(CCHH)	H(CCHI)	C(CNO)(H)2(I)	I(CCHH)	H(CCHI)	109.5981	1.014	17	109.5981	1.029	17	109.5922	0.516	45	109.1558	2.917	60	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:I-1:	C-4:	C-4:	C(CN[6,6]O)(H)2(I)	I(CCHH)	H(CCHI)	C(CN[6,6]O)(H)2(I)	I(CCHH)	H(CCHI)	108.8975	0.078	2	108.8975	0.006	2	109.5922	0.516	45	109.1558	2.917	60	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:I-1:	C-4:	C-4:	C(COO)(H)2(I)	I(CCHH)	H(CCHI)	C(COO)(H)2(I)	I(CCHH)	H(CCHI)	109.9284	0.156	8	109.9284	0.024	8	109.5922	0.516	45	109.1558	2.917	60	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	3:1:1:1:	4:	4:	C-3:H-1:I-1:I-1:	C-4:	C-4:	C(COO)(H)(I)2	I(CCHI)	H(CCII)	C(COO)(H)(I)2	I(CCHI)	H(CCII)	107.0980	0.007	2	107.0980	0.000	2	107.0980	0.000	2	109.1558	2.917	60	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:I-1:	C-4:	C-4:	C(C[6a]C[6a]2)(H)2(I)	I(CC[6a]HH)	H(CC[6a]HI)	C(C[6a]C[6a]2)(H)2(I)	I(CC[6a]HH)	H(CC[6a]HI)	107.6777	3.721	9	107.6777	13.849	9	107.6777	13.849	9	109.1558	2.917	60	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:I-1:	C-4:	C-4:	C(N[5]C[5]2)(H)2(I)	I(CN[5]HH)	H(CN[5]HI)	C(N[5]C[5]2)(H)2(I)	I(CN[5]HH)	H(CN[5]HI)	109.0155	0.053	2	109.0155	0.003	2	109.0155	0.003	2	109.1558	2.917	60	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:I-1:	C-4:	C-4:	C(CC[6]O)(CH3)(H)(I)	I(CCCH)	H(CCCI)	C(CC[6]O)(CH3)(H)(I)	I(CCCH)	H(CCCI)	109.6545	0.056	2	109.6545	0.003	2	109.6545	0.003	2	109.6545	0.003	2	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	B[6,6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(B[6,6]C[6,6]2N[6])(H)2(I)	I(CB[6,6]HH)	H(CB[6,6]HI)	C(B[6,6]C[6,6]2N[6])(H)2(I)	I(CB[6,6]HH)	H(CB[6,6]HI)	108.7740	0.027	2	108.7740	0.001	2	108.7740	0.001	2	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CCCH)(H)2(I)	I(CCHH)	H(CCHI)	C(CCCH)(H)2(I)	I(CCHH)	H(CCHI)	109.2740	0.025	2	109.2740	0.001	2	109.0966	0.575	90	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CCHH)(H)2(I)	I(CCHH)	H(CCHI)	C(CCHH)(H)2(I)	I(CCHH)	H(CCHI)	109.1997	0.574	41	109.1997	0.330	41	109.0966	0.575	90	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CCHN)(H)2(I)	I(CCHH)	H(CCHI)	C(CCHN)(H)2(I)	I(CCHH)	H(CCHI)	109.2535	0.005	2	109.2535	0.000	2	109.0966	0.575	90	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CC[5]CH)(H)2(I)	I(CCHH)	H(CCHI)	C(CC[5]CH)(H)2(I)	I(CCHH)	H(CCHI)	108.4690	0.020	2	108.4690	0.000	2	109.0966	0.575	90	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CC[5]HH)(H)2(I)	I(CCHH)	H(CCHI)	C(CC[5]HH)(H)2(I)	I(CCHH)	H(CCHI)	109.1545	0.035	2	109.1545	0.001	2	109.0966	0.575	90	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CC[5]HO)(H)2(I)	I(CCHH)	H(CCHI)	C(CC[5]HO)(H)2(I)	I(CCHH)	H(CCHI)	108.9775	0.569	4	108.9775	0.324	4	109.0966	0.575	90	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CC[5a]HH)(H)2(I)	I(CCHH)	H(CCHI)	C(CC[5a]HH)(H)2(I)	I(CCHH)	H(CCHI)	110.5660	0.021	2	110.5660	0.000	2	109.0966	0.575	90	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CC[6]HH)(H)2(I)	I(CCHH)	H(CCHI)	C(CC[6]HH)(H)2(I)	I(CCHH)	H(CCHI)	108.5860	0.010	2	108.5860	0.000	2	109.0966	0.575	90	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CC[6a]CH)(H)2(I)	I(CCHH)	H(CCHI)	C(CC[6a]CH)(H)2(I)	I(CCHH)	H(CCHI)	108.8655	0.009	2	108.8655	0.000	2	109.0966	0.575	90	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CC[6a]C[6]O)(H)2(I)	I(CCHH)	H(CCHI)	C(CC[6a]C[6]O)(H)2(I)	I(CCHH)	H(CCHI)	108.4550	0.047	2	108.4550	0.002	2	109.0966	0.575	90	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CC[6a]HO)(H)2(I)	I(CCHH)	H(CCHI)	C(CC[6a]HO)(H)2(I)	I(CCHH)	H(CCHI)	108.8083	0.060	4	108.8083	0.004	4	109.0966	0.575	90	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CC[6a]N[5a]H)(H)2(I)	I(CCHH)	H(CCHI)	C(CC[6a]N[5a]H)(H)2(I)	I(CCHH)	H(CCHI)	109.1525	0.019	2	109.1525	0.000	2	109.0966	0.575	90	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CF3)(H)2(I)	I(CCHH)	H(CCHI)	C(CF3)(H)2(I)	I(CCHH)	H(CCHI)	106.9112	1.461	4	106.9112	2.135	4	109.0966	0.575	90	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CH3)(H)2(I)	I(CCHH)	H(CCHI)	C(CH3)(H)2(I)	I(CCHH)	H(CCHI)	109.5018	0.073	4	109.5018	0.005	4	109.0966	0.575	90	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CHHN)(H)2(I)	I(CCHH)	H(CCHI)	C(CHHN)(H)2(I)	I(CCHH)	H(CCHI)	109.5295	0.077	4	109.5295	0.006	4	109.0966	0.575	90	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CHHO)(H)2(I)	I(CCHH)	H(CCHI)	C(CHHO)(H)2(I)	I(CCHH)	H(CCHI)	109.4115	0.399	6	109.4115	0.159	6	109.0966	0.575	90	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CN[5]HH)(H)2(I)	I(CCHH)	H(CCHI)	C(CN[5]HH)(H)2(I)	I(CCHH)	H(CCHI)	109.2580	0.031	2	109.2580	0.001	2	109.0966	0.575	90	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CN[5a]HH)(H)2(I)	I(CCHH)	H(CCHI)	C(CN[5a]HH)(H)2(I)	I(CCHH)	H(CCHI)	109.3513	0.672	3	109.3513	0.452	3	109.0966	0.575	90	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C-4:H-1:I-1:I-1:	C-4:	C-4:	C(CCHH)(H)(I)2	I(CCHI)	H(CCII)	C(CCHH)(H)(I)2	I(CCHI)	H(CCII)	108.4090	0.057	2	108.4090	0.003	2	108.4090	0.003	2	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[3]C[6a]C[3]O[3])(H)2(I)	I(CC[3]HH)	H(CC[3]HI)	C(C[3]C[6a]C[3]O[3])(H)2(I)	I(CC[3]HH)	H(CC[3]HI)	109.5900	0.014	2	109.5900	0.000	2	109.5900	0.000	2	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[4]C[4]N[4]H)(H)2(I)	I(CC[4]HH)	H(CC[4]HI)	C(C[4]C[4]N[4]H)(H)2(I)	I(CC[4]HH)	H(CC[4]HI)	109.7765	0.098	4	109.7765	0.010	4	109.7765	0.010	4	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(H)2(I)	I(CC[5,5]HH)	H(CC[5,5]HI)	C(C[5,5]C[5,5]C[5]O[5])(H)2(I)	I(CC[5,5]HH)	H(CC[5,5]HI)	108.7330	0.014	4	108.7330	0.000	4	108.7330	0.000	4	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)2(I)	I(CC[5,6]HH)	H(CC[5,6]HI)	C(C[5,6]C[5,6]C[6]O[5])(H)2(I)	I(CC[5,6]HH)	H(CC[5,6]HI)	108.1570	0.673	6	108.1570	0.453	6	108.3521	0.454	8	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(H)2(I)	I(CC[5,6]HH)	H(CC[5,6]HI)	C(C[5,6]O[5,6]C[5]C[6])(H)2(I)	I(CC[5,6]HH)	H(CC[5,6]HI)	108.9375	0.035	2	108.9375	0.001	2	108.3521	0.454	8	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]C[5,5]N[5,5]H)(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	C(C[5]C[5,5]N[5,5]H)(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	109.1845	0.013	2	109.1845	0.000	2	108.8204	4.478	71	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]H)(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	C(C[5]C[5,5]O[5]H)(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	109.1580	0.271	5	109.1580	0.073	5	108.8204	4.478	71	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]C[5,6]O[5]H)(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	C(C[5]C[5,6]O[5]H)(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	108.3760	0.007	2	108.3760	0.000	2	108.8204	4.478	71	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	C(C[5]C[5,6a]C[6a]C[5])(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	109.1960	0.023	2	109.1960	0.001	2	108.8204	4.478	71	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]C[5]2C)(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	C(C[5]C[5]2C)(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	106.9837	1.377	3	106.9837	1.895	3	108.8204	4.478	71	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]C[5]2H)(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	C(C[5]C[5]2H)(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	108.9610	0.038	2	108.9610	0.001	2	108.8204	4.478	71	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]C[5]2Ru)(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	C(C[5]C[5]2Ru)(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	110.0710	0.040	2	110.0710	0.002	2	108.8204	4.478	71	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	C(C[5]C[5]N[5]C)(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	108.9680	0.027	2	108.9680	0.001	2	108.8204	4.478	71	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	C(C[5]C[5]N[5]H)(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	109.0888	0.490	22	109.0888	0.240	22	108.8204	4.478	71	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	C(C[5]C[5]O[5]C)(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	108.5957	0.311	4	108.5957	0.096	4	108.8204	4.478	71	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	C(C[5]C[5]O[5]H)(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	108.2955	4.479	15	108.2955	20.060	15	108.8204	4.478	71	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	C(C[5]C[6a]C[5]N[5])(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	108.9333	0.260	4	108.9333	0.068	4	108.8204	4.478	71	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	C(C[5]C[6a]C[5]O[5])(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	108.7510	0.010	2	108.7510	0.000	2	108.8204	4.478	71	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]N[5,6]C[5]H)(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	C(C[5]N[5,6]C[5]H)(H)2(I)	I(CC[5]HH)	H(CC[5]HI)	109.4967	0.351	4	109.4967	0.123	4	108.8204	4.478	71	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[5]-4:H-1:I-1:I-1:	C-4:	C-4:	C(C[5]C[5]N[5]O)(H)(I)2	I(CC[5]HI)	H(CC[5]II)	C(C[5]C[5]N[5]O)(H)(I)2	I(CC[5]HI)	H(CC[5]II)	107.0890	0.035	2	107.0890	0.001	2	107.0890	0.001	2	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[5,6,6]C[6]H)(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	C(C[6]C[5,6,6]C[6]H)(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	109.4870	0.034	2	109.4870	0.001	2	108.7901	0.462	83	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	C(C[6]C[5,6]C[6]H)(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	108.7596	0.528	16	108.7596	0.279	16	108.7901	0.462	83	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[5,6]O[6]H)(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	C(C[6]C[5,6]O[6]H)(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	109.5360	0.000	1	109.5360	0.000	1	108.7901	0.462	83	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	C(C[6]C[6,6]C[6]H)(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	108.8325	0.019	2	108.8325	0.000	2	108.7901	0.462	83	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	C(C[6]C[6,6a]C[6]C)(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	108.6206	0.173	5	108.6206	0.030	5	108.7901	0.462	83	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	C(C[6]C[6,6a]C[6]H)(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	109.0290	0.109	6	109.0290	0.012	6	108.7901	0.462	83	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[6]2C)(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	C(C[6]C[6]2C)(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	108.3735	0.100	4	108.3735	0.010	4	108.7901	0.462	83	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[6]2H)(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	C(C[6]C[6]2H)(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	108.6380	1.205	20	108.6380	1.453	20	108.7901	0.462	83	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	C(C[6]C[6]N[6]H)(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	109.1505	0.046	2	109.1505	0.002	2	108.7901	0.462	83	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[6]O[6]C)(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	C(C[6]C[6]O[6]C)(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	108.9643	0.222	4	108.9643	0.049	4	108.7901	0.462	83	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	C(C[6]C[6]O[6]H)(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	109.0990	0.189	9	109.0990	0.036	9	108.7901	0.462	83	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[6]O[6]O)(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	C(C[6]C[6]O[6]O)(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	108.3990	0.151	4	108.3990	0.023	4	108.7901	0.462	83	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[6a]C[6]2)(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	C(C[6]C[6a]C[6]2)(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	108.8190	0.000	1	108.8190	0.000	1	108.7901	0.462	83	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[6a]C[6]N[6])(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	C(C[6]C[6a]C[6]N[6])(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	108.9075	0.034	4	108.9075	0.001	4	108.7901	0.462	83	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[6a]C[6]O[6])(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	C(C[6]C[6a]C[6]O[6])(H)2(I)	I(CC[6]HH)	H(CC[6]HI)	108.5410	0.185	3	108.5410	0.034	3	108.7901	0.462	83	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:I-1:	C-4:	C-4:	C(NC3)(H)2(I)	I(CHHN)	H(CHIN)	C(NC3)(H)2(I)	I(CHHN)	H(CHIN)	108.3143	0.925	12	108.3143	0.855	12	108.3143	0.855	12	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:I-1:	C-4:	C-4:	C(PC[6a]3)(H)2(I)	I(CHHP)	H(CHIP)	C(PC[6a]3)(H)2(I)	I(CHHP)	H(CHIP)	109.1066	0.103	8	109.1066	0.011	8	109.1066	0.011	8	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	P[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(P[6]C[6a]N[6]2)(H)2(I)	I(CP[6]HH)	H(CP[6]HI)	C(P[6]C[6a]N[6]2)(H)2(I)	I(CP[6]HH)	H(CP[6]HI)	109.1480	0.142	5	109.1480	0.020	5	109.1480	0.020	5	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:1:1:1:	4:	4:	S-4:H-1:I-1:I-1:	C-4:	C-4:	C(SC[6a]OO)(H)(I)2	I(CHIS)	H(CIIS)	C(SC[6a]OO)(H)(I)2	I(CHIS)	H(CIIS)	107.5262	0.237	5	107.5262	0.056	5	107.5262	0.056	5	108.8560	1.507	298	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:I-1:	C-4:	C-4:	C(CC[6a]CH)(COO)(H)(I)	I(CCCH)	H(CCCI)	C(CC[6a]CH)(COO)(H)(I)	I(CCCH)	H(CCCI)	109.4460	0.000	1	109.4460	0.000	1	110.0197	0.386	10	109.6921	0.909	12	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:I-1:	C-4:	C-4:	C(CC[6a]HO)(COO)(H)(I)	I(CCCH)	H(CCCI)	C(CC[6a]HO)(COO)(H)(I)	I(CCCH)	H(CCCI)	110.1515	0.630	8	110.1515	0.397	8	110.0197	0.386	10	109.6921	0.909	12	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:I-1:	C-4:	C-4:	C(CHNO)(COO)(H)(I)	I(CCCH)	H(CCCI)	C(CHNO)(COO)(H)(I)	I(CCCH)	H(CCCI)	109.5390	0.000	1	109.5390	0.000	1	110.0197	0.386	10	109.6921	0.909	12	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:I-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)(I)	I(CC[6a]C[5]H)	H(CC[6a]C[5]I)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)(I)	I(CC[6a]C[5]H)	H(CC[6a]C[5]I)	108.0540	0.283	2	108.0540	0.080	2	108.0540	0.080	2	109.6921	0.909	12	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:4:1:1:	4:	4:	B[5,5]-4:C-4:H-1:I-1:	C-4:	C-4:	C(B[5,5]N[5,5]O[5]2)(CC[6a]FH)(H)(I)	I(CB[5,5]CH)	H(CB[5,5]CI)	C(B[5,5]N[5,5]O[5]2)(CC[6a]FH)(H)(I)	I(CB[5,5]CH)	H(CB[5,5]CI)	108.3430	1.327	2	108.3430	1.760	2	108.4323	0.904	3	106.4447	13.500	35	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:4:1:1:	4:	4:	B[5,5]-4:C-4:H-1:I-1:	C-4:	C-4:	C(B[5,5]N[5,5]O[5]2)(CC[6a]HO)(H)(I)	I(CB[5,5]CH)	H(CB[5,5]CI)	C(B[5,5]N[5,5]O[5]2)(CC[6a]HO)(H)(I)	I(CB[5,5]CH)	H(CB[5,5]CI)	108.6110	0.000	1	108.6110	0.000	1	108.4323	0.904	3	106.4447	13.500	35	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:I-1:	C-4:	C-4:	C(CCHH)(CC3)(H)(I)	I(CCCH)	H(CCCI)	C(CCHH)(CC3)(H)(I)	I(CCCH)	H(CCCI)	101.2611	7.787	2	101.2611	60.630	2	105.9182	20.639	19	106.4447	13.500	35	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:I-1:	C-4:	C-4:	C(CCHH)2(H)(I)	I(CCCH)	H(CCCI)	C(CCHH)2(H)(I)	I(CCCH)	H(CCCI)	103.1222	5.332	6	103.1222	28.427	6	105.9182	20.639	19	106.4447	13.500	35	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:I-1:	C-4:	C-4:	C(CCHN)(CCHO)(H)(I)	I(CCCH)	H(CCCI)	C(CCHN)(CCHO)(H)(I)	I(CCCH)	H(CCCI)	104.9190	0.000	1	104.9190	0.000	1	105.9182	20.639	19	106.4447	13.500	35	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:I-1:	C-4:	C-4:	C(CC[6a]HH)(CCHH)(H)(I)	I(CCCH)	H(CCCI)	C(CC[6a]HH)(CCHH)(H)(I)	I(CCCH)	H(CCCI)	107.5520	0.000	1	107.5520	0.000	1	105.9182	20.639	19	106.4447	13.500	35	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:I-1:	C-4:	C-4:	C(CC[6a]N[5a]H)(CH3)(H)(I)	I(CCCH)	H(CCCI)	C(CC[6a]N[5a]H)(CH3)(H)(I)	I(CCCH)	H(CCCI)	109.0840	0.000	1	109.0840	0.000	1	105.9182	20.639	19	106.4447	13.500	35	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:I-1:	C-4:	C-4:	C(CC[6a]N[5a]H)(CHHO)(H)(I)	I(CCCH)	H(CCCI)	C(CC[6a]N[5a]H)(CHHO)(H)(I)	I(CCCH)	H(CCCI)	109.0670	0.000	1	109.0670	0.000	1	105.9182	20.639	19	106.4447	13.500	35	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:I-1:	C-4:	C-4:	C(CHHN)(CH3)(H)(I)	I(CCCH)	H(CCCI)	C(CHHN)(CH3)(H)(I)	I(CCCH)	H(CCCI)	108.3940	0.000	1	108.3940	0.000	1	105.9182	20.639	19	106.4447	13.500	35	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:I-1:	C-4:	C-4:	C(CHHN)2(H)(I)	I(CCCH)	H(CCCI)	C(CHHN)2(H)(I)	I(CCCH)	H(CCCI)	108.9425	0.297	4	108.9425	0.088	4	105.9182	20.639	19	106.4447	13.500	35	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:I-1:	C-4:	C-4:	C(CN[4]HH)(CHHO)(H)(I)	I(CCCH)	H(CCCI)	C(CN[4]HH)(CHHO)(H)(I)	I(CCCH)	H(CCCI)	107.3540	0.000	1	107.3540	0.000	1	105.9182	20.639	19	106.4447	13.500	35	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:I-1:	C-4:	C-4:	C(CN[6a]HO)(CHHN)(H)(I)	I(CCCH)	H(CCCI)	C(CN[6a]HO)(CHHN)(H)(I)	I(CCCH)	H(CCCI)	109.0500	0.000	1	109.0500	0.000	1	105.9182	20.639	19	106.4447	13.500	35	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:I-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(H)(I)	I(CC[5]CH)	H(CC[5]CI)	C(C[5]C[5,6]C[5]H)(CH3)(H)(I)	I(CC[5]CH)	H(CC[5]CI)	107.8135	0.661	2	107.8135	0.437	2	106.8000	8.367	9	106.4447	13.500	35	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:I-1:	C-4:	C-4:	C(C[5]C[5]2H)(CCHH)(H)(I)	I(CC[5]CH)	H(CC[5]CI)	C(C[5]C[5]2H)(CCHH)(H)(I)	I(CC[5]CH)	H(CC[5]CI)	106.2760	0.000	1	106.2760	0.000	1	106.8000	8.367	9	106.4447	13.500	35	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:I-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(CH3)(H)(I)	I(CC[5]CH)	H(CC[5]CI)	C(C[5]C[5]N[5]C)(CH3)(H)(I)	I(CC[5]CH)	H(CC[5]CI)	99.7943	0.000	1	99.7943	0.000	1	106.8000	8.367	9	106.4447	13.500	35	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:I-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)(I)	I(CC[5]CH)	H(CC[5]CI)	C(C[5]C[5]N[5]H)(CCHH)(H)(I)	I(CC[5]CH)	H(CC[5]CI)	109.2070	0.000	1	109.2070	0.000	1	106.8000	8.367	9	106.4447	13.500	35	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:I-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(CH3)(H)(I)	I(CC[5]CH)	H(CC[5]CI)	C(C[5]C[5]N[5]H)(CH3)(H)(I)	I(CC[5]CH)	H(CC[5]CI)	107.8880	0.000	1	107.8880	0.000	1	106.8000	8.367	9	106.4447	13.500	35	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:I-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(CHHN)(H)(I)	I(CC[5]CH)	H(CC[5]CI)	C(C[5]C[5]N[5]H)(CHHN)(H)(I)	I(CC[5]CH)	H(CC[5]CI)	108.5310	0.052	2	108.5310	0.003	2	106.8000	8.367	9	106.4447	13.500	35	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:I-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CC3)(H)(I)	I(CC[5]CH)	H(CC[5]CI)	C(C[5]C[5]O[5]H)(CC3)(H)(I)	I(CC[5]CH)	H(CC[5]CI)	105.3460	0.000	1	105.3460	0.000	1	106.8000	8.367	9	106.4447	13.500	35	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:I-1:	C-4:	C-4:	C(C[6]C[3x6]O[6]H)(CC[6a]HO)(H)(I)	I(CC[6]CH)	H(CC[6]CI)	C(C[6]C[3x6]O[6]H)(CC[6a]HO)(H)(I)	I(CC[6]CH)	H(CC[6]CI)	106.5170	0.000	1	106.5170	0.000	1	106.7210	0.083	2	106.4447	13.500	35	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:I-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(H)(I)	I(CC[6]CH)	H(CC[6]CI)	C(C[6]C[6]O[6]H)(CCHH)(H)(I)	I(CC[6]CH)	H(CC[6]CI)	106.9250	0.000	1	106.9250	0.000	1	106.7210	0.083	2	106.4447	13.500	35	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:I-1:	C-4:	C-4:	C(PC[6a]2S)(SiC3)(H)(I)	I(CSiHP)	H(CSiIP)	C(PC[6a]2S)(SiC3)(H)(I)	I(CSiHP)	H(CSiIP)	106.9200	0.000	1	106.9200	0.000	1	106.5905	0.217	2	106.4447	13.500	35	108.7142	2.911	480	108.7142	2.911	480
490	944	951	0:SP3_SP-NON_SP-NON	C	I	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:I-1:	C-4:	C-4:	C(PC[6a]2S)(SiC[6a]3)(H)(I)	I(CSiHP)	H(CSiIP)	C(PC[6a]2S)(SiC[6a]3)(H)(I)	I(CSiHP)	H(CSiIP)	106.2610	0.000	1	106.2610	0.000	1	106.5905	0.217	2	106.4447	13.500	35	108.7142	2.911	480	108.7142	2.911	480
490	944	952	0:SP3_SP-NON_SP3	C	I	S	4:1:1:1:	4:	3:4:1:1:	S-4:H-1:I-1:I-1:	C-4:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(H)(I)2	I(CHIS)	S(C[6a]C[6a]2)(CHII)(O)2	C(SC[6a]OO)(H)(I)2	I(CHIS)	S(C[6a]C[6a]2)(CHII)(O)2	109.8235	2.295	6	109.8235	5.268	6	109.8235	5.268	6	109.8235	5.268	6	109.1571	6.569	10	109.1571	6.569	10
490	944	952	0:SP3_SP-NON_SP3	C	I	S	4:4:1:1:	4:	3:4:1:1:	S-4:S-4:I-1:I-1:	C-4:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)2(I)2	I(CISS)	S(C[6a]C[6a]2)(CIIS)(O)2	C(SC[6a]OO)2(I)2	I(CISS)	S(C[6a]C[6a]2)(CIIS)(O)2	108.1575	2.951	4	108.1575	8.707	4	108.1575	8.707	4	108.1575	8.707	4	109.1571	6.569	10	109.1571	6.569	10
490	944	956	0:SP3_SP-NON_SP2	C	I	N	4:3:1:1:	4:	4:1:1:	C-4:N-3:I-1:I-1:	C-4:	C-4:O-1:O-1:	C(CCHH)(NOO)(I)2	I(CCIN)	N(CCII)(O)2	C(CCHH)(NOO)(I)2	I(CCIN)	N(CCII)(O)2	107.1730	2.217	2	107.1730	4.917	2	107.1730	4.917	2	107.1730	4.917	2	107.1730	4.917	2	107.1730	4.917	2
490	944	992	0:SP3_SP-NON_SP3	C	I	P	4:1:1:1:	4:	3:3:3:4:	P-4:H-1:H-1:I-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(H)2(I)	I(CHHP)	P(C[6a]C[6a]2)3(CHHI)	C(PC[6a]3)(H)2(I)	I(CHHP)	P(C[6a]C[6a]2)3(CHHI)	112.4688	0.537	4	112.4688	0.288	4	112.4688	0.288	4	112.4688	0.288	4	111.1093	4.787	6	111.1093	4.787	6
490	944	992	0:SP3_SP-NON_SP3	C	I	P	4:4:1:1:	4:	3:3:4:1:	P-4:Si-4:H-1:I-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(SiC3)(H)(I)	I(CSiHP)	P(C[6a]C[6a]2)2(CSiHI)(S)	C(PC[6a]2S)(SiC3)(H)(I)	I(CSiHP)	P(C[6a]C[6a]2)2(CSiHI)(S)	107.7210	0.000	1	107.7210	0.000	1	108.3905	0.896	2	108.3905	0.896	2	111.1093	4.787	6	111.1093	4.787	6
490	944	992	0:SP3_SP-NON_SP3	C	I	P	4:4:1:1:	4:	3:3:4:1:	P-4:Si-4:H-1:I-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(SiC[6a]3)(H)(I)	I(CSiHP)	P(C[6a]C[6a]2)2(CSiHI)(S)	C(PC[6a]2S)(SiC[6a]3)(H)(I)	I(CSiHP)	P(C[6a]C[6a]2)2(CSiHI)(S)	109.0600	0.000	1	109.0600	0.000	1	108.3905	0.896	2	108.3905	0.896	2	111.1093	4.787	6	111.1093	4.787	6
490	945	945	0:SP3_SP3_SP3	C	P	P	3:3:1:1:	2:4:1:	2:4:1:	P-3:P-3:H-1:H-1:	S-2:C-4:Cl-1:	S-2:C-4:Cl-1:	C(PClS)2(H)2	P(SC[3x3,4,3x5,14x6])(CHHP)(Cl)	P(SC[3x3,4,3x5,14x6])(CHHP)(Cl)	C(PClS)2(H)2	P(SC[3x3,4,3x5,14x6])(CHHP)(Cl)	P(SC[3x3,4,3x5,14x6])(CHHP)(Cl)	117.7910	0.000	1	117.7910	0.000	1	117.7910	0.000	1	117.7910	0.000	1	109.4990	37.131	18	109.4990	37.131	18
490	945	945	0:SP3_SP3_SP3	C	P	P	3:3:1:1:	3:3:4:	3:3:4:	P-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)2(H)2	P(C[6a]C[6a]2)2(CHHP)	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2)2(H)2	P(C[6a]C[6a]2)2(CHHP)	P(C[6a]C[6a]2)2(CHHP)	106.9873	1.111	3	106.9873	1.233	3	106.9873	1.233	3	106.9873	1.233	3	109.4990	37.131	18	109.4990	37.131	18
490	945	945	0:SP3_SP3_SP3	C	P	P	3:3:1:1:	3:3:4:	4:4:4:	P-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(PC[6a]2)(PCC)(H)2	P(C[6a]C[6a]2)2(CHHP)	P(CHHP)(CC3)2	C(PC[6a]2)(PCC)(H)2	P(C[6a]C[6a]2)2(CHHP)	P(CHHP)(CC3)2	109.7340	0.000	1	109.7340	0.000	1	109.7340	0.000	1	109.7340	0.000	1	109.4990	37.131	18	109.4990	37.131	18
490	945	945	0:SP3_SP3_SP3	C	P	P	3:3:1:1:	4:4:4:	4:4:4:	P-3:P-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:C-4:C-4:	C(PC[6]2)(PCC)(H)2	P(C[6]C[6]2H)2(CHHP)	P(CHHP)(CC3)2	C(PC[6]2)(PCC)(H)2	P(C[6]C[6]2H)2(CHHP)	P(CHHP)(CC3)2	120.2720	0.000	1	120.2720	0.000	1	120.2720	0.000	1	120.2785	0.000	2	109.4990	37.131	18	109.4990	37.131	18
490	945	945	0:SP3_SP3_SP3	C	P	P	3:3:1:1:	4:4:4:	4:4:4:	P-3:P-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:	C(PC[6]2)2(H)2	P(C[6]C[6]2H)2(CHHP)	P(C[6]C[6]2H)2(CHHP)	C(PC[6]2)2(H)2	P(C[6]C[6]2H)2(CHHP)	P(C[6]C[6]2H)2(CHHP)	120.2850	0.000	1	120.2850	0.000	1	120.2850	0.000	1	120.2785	0.000	2	109.4990	37.131	18	109.4990	37.131	18
490	945	945	0:SP3_SP3_SP3	C	P	P	3:3:2:1:	3:3:4:	3:3:4:	P-3:P-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)2(CN)(H)	P(C[6a]C[6a]2)2(CCHP)	P(C[6a]C[6a]2)2(CCHP)	C(PC[6a]2)2(CN)(H)	P(C[6a]C[6a]2)2(CCHP)	P(C[6a]C[6a]2)2(CCHP)	108.8220	3.094	2	108.8220	9.575	2	108.8220	9.575	2	108.8220	9.575	2	109.4990	37.131	18	109.4990	37.131	18
490	945	945	0:SP3_SP3_SP3	C	P	P	3:3:3:1:	3:3:4:	3:3:4:	P-3:P-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)2(CCH)(H)	P(C[6a]C[6a]2)2(CCHP)	P(C[6a]C[6a]2)2(CCHP)	C(PC[6a]2)2(CCH)(H)	P(C[6a]C[6a]2)2(CCHP)	P(C[6a]C[6a]2)2(CCHP)	108.5290	0.000	1	108.5290	0.000	1	112.4050	32.070	3	112.4050	32.070	3	109.4990	37.131	18	109.4990	37.131	18
490	945	945	0:SP3_SP3_SP3	C	P	P	3:3:3:1:	3:3:4:	3:3:4:	P-3:P-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)2(COO)(H)	P(C[6a]C[6a]2)2(CCHP)	P(C[6a]C[6a]2)2(CCHP)	C(PC[6a]2)2(COO)(H)	P(C[6a]C[6a]2)2(CCHP)	P(C[6a]C[6a]2)2(CCHP)	114.3430	6.450	2	114.3430	41.605	2	112.4050	32.070	3	112.4050	32.070	3	109.4990	37.131	18	109.4990	37.131	18
490	945	945	0:SP3_SP3_SP3	C	P	P	3:3:3:1:	4:4:4:	4:4:4:	C[6a]-3:P-3:P-3:H-1:	C-4:C-4:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(PCC)2(H)	P(CC[6a]HP)(CCCH)2	P(CC[6a]HP)(CCCH)2	C(C[6a]C[6a]N[6a])(PCC)2(H)	P(CC[6a]HP)(CCCH)2	P(CC[6a]HP)(CCCH)2	105.7860	0.000	1	105.7860	0.000	1	105.7860	0.000	1	105.7860	0.000	1	109.4990	37.131	18	109.4990	37.131	18
490	945	945	0:SP3_SP3_SP3	C	P	P	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:P-3:P-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]2)2(OB[5a])	P(C[6a]C[6a]2)2(CC[6a]OP)	P(C[6a]C[6a]2)2(CC[6a]OP)	C(C[6a]C[6a]2)(PC[6a]2)2(OB[5a])	P(C[6a]C[6a]2)2(CC[6a]OP)	P(C[6a]C[6a]2)2(CC[6a]OP)	102.8520	0.000	1	102.8520	0.000	1	102.8520	0.000	1	102.8520	0.000	1	109.4990	37.131	18	109.4990	37.131	18
490	945	945	0:SP3_SP3_SP3	C	P	P	3:3:4:1:	3:3:4:	3:3:4:	P-3:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)2(CCHH)(H)	P(C[6a]C[6a]2)2(CCHP)	P(C[6a]C[6a]2)2(CCHP)	C(PC[6a]2)2(CCHH)(H)	P(C[6a]C[6a]2)2(CCHP)	P(C[6a]C[6a]2)2(CCHP)	102.9169	3.216	3	102.9169	10.341	3	104.6102	18.363	4	104.6102	18.363	4	109.4990	37.131	18	109.4990	37.131	18
490	945	945	0:SP3_SP3_SP3	C	P	P	3:3:4:1:	3:3:4:	3:3:4:	P-3:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)2(CHPP)(H)	P(C[6a]C[6a]2)2(CCHP)	P(C[6a]C[6a]2)2(CCHP)	C(PC[6a]2)2(CHPP)(H)	P(C[6a]C[6a]2)2(CCHP)	P(C[6a]C[6a]2)2(CCHP)	109.6900	0.000	1	109.6900	0.000	1	104.6102	18.363	4	104.6102	18.363	4	109.4990	37.131	18	109.4990	37.131	18
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:1:1:1:	3:3:4:	4:	P-3:H-1:H-1:H-1:	C-3:C-3:C-4:	C-4:	C(PCC)(H)3	P(CC[6a]O)2(CH3)	H(CHHP)	C(PCC)(H)3	P(CC[6a]O)2(CH3)	H(CHHP)	109.4790	0.030	5	109.4790	0.001	5	109.4790	0.001	5	109.0534	6.498	14	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:1:1:1:	3:3:4:	4:	P-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)(H)3	P(C[6a]C[6a]2)2(CH3)	H(CHHP)	C(PC[6a]2)(H)3	P(C[6a]C[6a]2)2(CH3)	H(CHHP)	108.8170	3.222	9	108.8170	10.383	9	108.8170	10.383	9	109.0534	6.498	14	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:1:1:1:	3:4:4:	4:	P-3:H-1:H-1:H-1:	C[5]-3:C-4:C-4:	C-4:	C(PC[5]C)(H)3	P(C[5]N[5]2)(CH3)2	H(CHHP)	C(PC[5]C)(H)3	P(C[5]N[5]2)(CH3)2	H(CHHP)	109.4787	0.069	3	109.4787	0.005	3	109.4787	0.005	3	109.4862	0.868	53	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:1:1:1:	3:4:4:	4:	P-3:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]C)(H)3	P(C[6a]C[6a,6a]C[6a])(CH3)2	H(CHHP)	C(PC[6a]C)(H)3	P(C[6a]C[6a,6a]C[6a])(CH3)2	H(CHHP)	109.4664	0.032	8	109.4664	0.001	8	109.4867	0.921	50	109.4862	0.868	53	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:1:1:1:	3:4:4:	4:	P-3:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]C)(H)3	P(C[6a]C[6a]2)(CC[6a]2H)(CH3)	H(CHHP)	C(PC[6a]C)(H)3	P(C[6a]C[6a]2)(CC[6a]2H)(CH3)	H(CHHP)	109.4570	0.014	5	109.4570	0.000	5	109.4867	0.921	50	109.4862	0.868	53	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:1:1:1:	3:4:4:	4:	P-3:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]C)(H)3	P(C[6a]C[6a]2)(CC[6a]CH)(CH3)	H(CHHP)	C(PC[6a]C)(H)3	P(C[6a]C[6a]2)(CC[6a]CH)(CH3)	H(CHHP)	109.4833	0.022	3	109.4833	0.000	3	109.4867	0.921	50	109.4862	0.868	53	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:1:1:1:	3:4:4:	4:	P-3:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]C)(H)3	P(C[6a]C[6a]2)(CH3)2	H(CHHP)	C(PC[6a]C)(H)3	P(C[6a]C[6a]2)(CH3)2	H(CHHP)	109.4961	1.169	34	109.4961	1.367	34	109.4867	0.921	50	109.4862	0.868	53	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:1:1:1:	4:3:2:	4:	P-3:H-1:H-1:H-1:	C-4:N-3:C-2:	C-4:	C(PCN)(H)3	P(CH3)(NCC)(CW)	H(CHHP)	C(PCN)(H)3	P(CH3)(NCC)(CW)	H(CHHP)	109.4780	0.008	2	109.4780	0.000	2	109.4780	0.000	2	109.4780	0.000	2	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:1:1:1:	4:3:4:	4:	P-3:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C-4:	C-4:	C(PC[6a]C[5])(H)3	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(CH3)	H(CHHP)	C(PC[6a]C[5])(H)3	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(CH3)	H(CHHP)	109.4630	0.013	3	109.4630	0.000	3	109.4630	0.000	3	109.4630	0.000	3	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:1:1:1:	4:4:3:	4:	P-3:H-1:H-1:H-1:	C-4:C-4:P-3:	C-4:	C(PCP)(H)3	P(CC3)(CH3)(PCP)	H(CHHP)	C(PCP)(H)3	P(CC3)(CH3)(PCP)	H(CHHP)	109.4605	0.045	6	109.4605	0.002	6	109.4605	0.002	6	109.4551	0.001	16	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:1:1:1:	4:4:3:	4:	P-3:H-1:H-1:H-1:	C-4:P-4:P-3:	C-4:	C(PPP)(H)3	P(CH3)(PC3)(PCP)	H(CHHP)	C(PPP)(H)3	P(CH3)(PC3)(PCP)	H(CHHP)	109.4528	0.027	5	109.4528	0.001	5	109.4528	0.001	5	109.4551	0.001	16	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:1:1:1:	4:4:3:	4:	P-3:H-1:H-1:H-1:	P-4:C-4:P-3:	C-4:	C(PPP)(H)3	P(PC[6a]3)(CH3)(PCP)	H(CHHP)	C(PPP)(H)3	P(PC[6a]3)(CH3)(PCP)	H(CHHP)	109.4510	0.037	5	109.4510	0.001	5	109.4510	0.001	5	109.4551	0.001	16	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:1:1:1:	4:4:4:	4:	P-3:H-1:H-1:H-1:	As-4:As-4:C-4:	C-4:	C(PAs2)(H)3	P(AsC3)2(CH3)	H(CHHP)	C(PAs2)(H)3	P(AsC3)2(CH3)	H(CHHP)	109.4560	0.018	6	109.4560	0.000	6	109.4536	0.001	9	109.4814	0.237	124	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:1:1:1:	4:4:4:	4:	P-3:H-1:H-1:H-1:	As-4:As-4:C-4:	C-4:	C(PAs2)(H)3	P(AsC[6a]3)2(CH3)	H(CHHP)	C(PAs2)(H)3	P(AsC[6a]3)2(CH3)	H(CHHP)	109.4487	0.057	3	109.4487	0.003	3	109.4536	0.001	9	109.4814	0.237	124	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:1:1:1:	4:4:4:	4:	P-3:H-1:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(PCC)(H)3	P(CC3)2(CH3)	H(CHHP)	C(PCC)(H)3	P(CC3)2(CH3)	H(CHHP)	109.5803	1.188	20	109.5803	1.411	20	109.4896	0.316	93	109.4814	0.237	124	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:1:1:1:	4:4:4:	4:	P-3:H-1:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(PCC)(H)3	P(CCHH)(CH3)2	H(CHHP)	C(PCC)(H)3	P(CCHH)(CH3)2	H(CHHP)	109.4614	0.052	19	109.4614	0.003	19	109.4896	0.316	93	109.4814	0.237	124	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:1:1:1:	4:4:4:	4:	P-3:H-1:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(PCC)(H)3	P(CCHH)2(CH3)	H(CHHP)	C(PCC)(H)3	P(CCHH)2(CH3)	H(CHHP)	109.4775	0.016	4	109.4775	0.000	4	109.4896	0.316	93	109.4814	0.237	124	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:1:1:1:	4:4:4:	4:	P-3:H-1:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(PCC)(H)3	P(CH3)3	H(CHHP)	C(PCC)(H)3	P(CH3)3	H(CHHP)	109.4675	0.248	33	109.4675	0.062	33	109.4896	0.316	93	109.4814	0.237	124	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:1:1:1:	4:4:4:	4:	P-3:H-1:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(PCC)(H)3	P(CHHP)(CH3)2	H(CHHP)	C(PCC)(H)3	P(CHHP)(CH3)2	H(CHHP)	109.4596	0.034	11	109.4596	0.001	11	109.4896	0.316	93	109.4814	0.237	124	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:1:1:1:	4:4:4:	4:	P-3:H-1:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(PCC)(H)3	P(CNiHH)(CH3)2	H(CHHP)	C(PCC)(H)3	P(CNiHH)(CH3)2	H(CHHP)	109.4618	0.033	6	109.4618	0.001	6	109.4896	0.316	93	109.4814	0.237	124	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:1:1:1:	4:4:4:	4:	P-3:H-1:H-1:H-1:	C-4:P-4:P-4:	C-4:	C(PPP)(H)3	P(CH3)(PC3)2	H(CHHP)	C(PPP)(H)3	P(CH3)(PC3)2	H(CHHP)	109.4727	0.022	3	109.4727	0.001	3	109.4727	0.001	3	109.4814	0.237	124	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:1:1:1:	4:4:4:	4:	P-3:H-1:H-1:H-1:	P-4:C-4:C-4:	C-4:	C(PCP)(H)3	P(PCCP)(CH3)2	H(CHHP)	C(PCP)(H)3	P(PCCP)(CH3)2	H(CHHP)	109.4380	0.107	9	109.4380	0.011	9	109.4557	0.007	19	109.4814	0.237	124	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:1:1:1:	4:4:4:	4:	P-3:H-1:H-1:H-1:	P-4:C-4:C-4:	C-4:	C(PCP)(H)3	P(PC[6a]2C)(CH3)2	H(CHHP)	C(PCP)(H)3	P(PC[6a]2C)(CH3)2	H(CHHP)	109.4716	0.048	10	109.4716	0.002	10	109.4557	0.007	19	109.4814	0.237	124	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:2:1:1:	3:3:4:	4:	P-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)(OC[6a])(H)2	P(C[6a]C[6a]2)2(CHHO)	H(CHOP)	C(PC[6a]2)(OC[6a])(H)2	P(C[6a]C[6a]2)2(CHHO)	H(CHOP)	109.7443	0.951	6	109.7443	0.904	6	109.7443	0.904	6	109.7443	0.904	6	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:2:1:1:	4:4:4:	4:	P-3:N-2:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(PCC)(NC)(H)2	P(CHHN)3	H(CHNP)	C(PCC)(NC)(H)2	P(CHHN)3	H(CHNP)	109.5606	0.451	5	109.5606	0.203	5	109.5606	0.203	5	109.3193	1.500	9	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:2:1:1:	4:4:4:	4:	P-3:O-2:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(PCC)(OH)(H)2	P(CCHH)(CHHO)2	H(CHOP)	C(PCC)(OH)(H)2	P(CCHH)(CHHO)2	H(CHOP)	109.0177	1.874	4	109.0177	3.511	4	109.0177	3.511	4	109.3193	1.500	9	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	2:4:1:	4:	P-3:P-3:H-1:H-1:	S-2:C-4:Cl-1:	C-4:	C(PClS)2(H)2	P(SC[3x3,4,3x5,14x6])(CHHP)(Cl)	H(CHPP)	C(PClS)2(H)2	P(SC[3x3,4,3x5,14x6])(CHHP)(Cl)	H(CHPP)	107.8777	0.037	3	107.8777	0.001	3	107.8777	0.001	3	107.8777	0.001	3	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	3:3:4:	4:	C[5]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]N[5]2)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CC[5]HH)	H(CC[5]HP)	C(C[5]N[5]2)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CC[5]HH)	H(CC[5]HP)	106.7885	5.915	2	106.7885	34.987	2	107.9195	13.368	4	109.2174	1.114	94	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	3:3:4:	4:	C[5]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]N[5]S[5])(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CC[5]HH)	H(CC[5]HP)	C(C[5]N[5]S[5])(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CC[5]HH)	H(CC[5]HP)	109.0505	0.006	2	109.0505	0.000	2	107.9195	13.368	4	109.2174	1.114	94	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	3:3:4:	4:	C[6]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CC[6]HH)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CC[6]HH)	H(CC[6]HP)	109.4656	0.296	5	109.4656	0.088	5	109.4656	0.088	5	109.2174	1.114	94	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CC[6a]HH)	H(CC[6a]HP)	C(C[6a]C[5a,6a]C[6a])(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CC[6a]HH)	H(CC[6a]HP)	109.1295	0.239	8	109.1295	0.057	8	109.0982	0.584	26	109.2174	1.114	94	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CC[6a]HH)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CC[6a]HH)	H(CC[6a]HP)	109.0843	0.914	18	109.0843	0.835	18	109.0982	0.584	26	109.2174	1.114	94	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	3:3:4:	4:	N-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(NC[6a]C)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHN)	H(CHNP)	C(NC[6a]C)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHN)	H(CHNP)	109.2707	0.120	6	109.2707	0.014	6	109.1666	0.427	10	109.2174	1.114	94	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	3:3:4:	4:	N-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(NC[6a]H)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHN)	H(CHNP)	C(NC[6a]H)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHN)	H(CHNP)	109.0105	1.097	4	109.0105	1.203	4	109.1666	0.427	10	109.2174	1.114	94	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	3:3:4:	4:	N[5]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CN[5]HH)	H(CN[5]HP)	C(N[5]C[5,6a]C[5])(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CN[5]HH)	H(CN[5]HP)	108.9530	0.141	8	108.9530	0.020	8	108.9615	0.752	16	109.2174	1.114	94	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	3:3:4:	4:	N[5]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]Si[5])(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CN[5]HH)	H(CN[5]HP)	C(N[5]C[5,6a]Si[5])(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CN[5]HH)	H(CN[5]HP)	108.9700	1.261	8	108.9700	1.591	8	108.9615	0.752	16	109.2174	1.114	94	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CN[5a]HH)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CN[5a]HH)	H(CN[5a]HP)	109.2215	0.106	4	109.2215	0.011	4	109.2215	0.011	4	109.2174	1.114	94	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	3:3:4:	4:	N[6]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CN[6]HH)	H(CN[6]HP)	C(N[6]C[6,6a]C[6])(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CN[6]HH)	H(CN[6]HP)	108.4350	0.494	4	108.4350	0.244	4	108.4350	0.244	4	109.2174	1.114	94	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	3:3:4:	4:	P-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)(CC[6]N)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	C(PC[6a]2)(CC[6]N)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	110.0195	0.008	2	110.0195	0.000	2	109.8433	0.020	6	109.2174	1.114	94	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	3:3:4:	4:	P-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)(CHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	C(PC[6a]2)(CHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	109.7553	0.050	4	109.7553	0.003	4	109.8433	0.020	6	109.2174	1.114	94	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	3:3:4:	4:	P-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)(NCC)(H)2	P(C[6a]C[6a]2)2(CHHN)	H(CHNP)	C(PC[6a]2)(NCC)(H)2	P(C[6a]C[6a]2)2(CHHN)	H(CHNP)	108.7695	0.028	2	108.7695	0.001	2	108.7695	0.001	2	109.2174	1.114	94	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	3:3:4:	4:	P-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)(PCC)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	C(PC[6a]2)(PCC)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	109.0565	2.365	2	109.0565	5.595	2	110.0892	0.781	12	109.2174	1.114	94	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	3:3:4:	4:	P-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)2(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	C(PC[6a]2)2(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	110.2957	0.220	10	110.2957	0.048	10	110.0892	0.781	12	109.2174	1.114	94	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	3:3:4:	4:	P-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)(SNN)(H)2	P(C[6a]C[6a]2)2(CHHS)	H(CHPS)	C(PC[6a]2)(SNN)(H)2	P(C[6a]C[6a]2)2(CHHS)	H(CHPS)	108.8420	0.000	1	108.8420	0.000	1	108.8420	0.000	1	109.2174	1.114	94	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	3:3:4:	4:	P[5]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(P[5]C[5,6a]2)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CP[5]HH)	H(CP[5]HP)	C(P[5]C[5,6a]2)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CP[5]HH)	H(CP[5]HP)	109.6725	0.260	4	109.6725	0.068	4	109.6725	0.068	4	109.2174	1.114	94	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	3:4:1:	4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C-4:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6a]H)(H)2	P(C[6a]C[6a]2)(CC[6a]HH)(H)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PC[6a]H)(H)2	P(C[6a]C[6a]2)(CC[6a]HH)(H)	H(CC[6a]HP)	108.2195	0.024	4	108.2195	0.001	4	108.2195	0.001	4	108.2195	0.001	4	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	3:4:4:	4:	C[5]-3:P-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(C[5]N[5]O[5])(PC[6a]C)(H)2	P(C[6a]C[6a]2)(CC[5]HH)2	H(CC[5]HP)	C(C[5]N[5]O[5])(PC[6a]C)(H)2	P(C[6a]C[6a]2)(CC[5]HH)2	H(CC[5]HP)	109.1710	0.801	3	109.1710	0.642	3	109.1710	0.642	3	107.7213	4.945	47	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]C)(H)2	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]C)(H)2	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	H(CC[6a]HP)	109.5340	0.120	3	109.5340	0.014	3	109.3448	0.162	10	107.7213	4.945	47	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]C)(H)2	P(C[6a]C[6a]2)(CC[6a]HH)2	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]C)(H)2	P(C[6a]C[6a]2)(CC[6a]HH)2	H(CC[6a]HP)	109.3135	0.644	4	109.3135	0.415	4	109.3448	0.162	10	107.7213	4.945	47	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]C)(H)2	P(C[6a]C[6a]2)(CC[6a]HH)2	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]C)(H)2	P(C[6a]C[6a]2)(CC[6a]HH)2	H(CC[6a]HP)	109.1973	0.051	3	109.1973	0.003	3	109.3448	0.162	10	107.7213	4.945	47	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	3:4:4:	4:	P-3:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]C)(NCC)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHN)	H(CHNP)	C(PC[6a]C)(NCC)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHN)	H(CHNP)	107.2914	2.377	27	107.2914	5.649	27	107.1159	5.443	34	107.7213	4.945	47	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	3:4:4:	4:	P-3:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]C)(NCC)(H)2	P(C[6a]C[6a]2)(CHHN)2	H(CHNP)	C(PC[6a]C)(NCC)(H)2	P(C[6a]C[6a]2)(CHHN)2	H(CHNP)	106.4387	2.187	7	106.4387	4.782	7	107.1159	5.443	34	107.7213	4.945	47	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:1:	4:	P-3:C-3:H-1:H-1:	C-4:C-4:Cl-1:	C-4:	C(PClC)(CCN)(H)2	P(CCHH)2(Cl)	H(CCHP)	C(PClC)(CCN)(H)2	P(CCHH)2(Cl)	H(CCHP)	108.0752	0.381	4	108.0752	0.145	4	108.0752	0.145	4	108.0752	0.145	4	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:4:	4:	C-3:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(CCC)(PCC)(H)2	P(CCHH)2(CH3)	H(CCHP)	C(CCC)(PCC)(H)2	P(CCHH)2(CH3)	H(CCHP)	103.9131	2.543	8	103.9131	6.466	8	103.9131	6.466	8	108.3045	2.904	136	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:4:	4:	C[5]-3:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5])(PCC)(H)2	P(CC[5]HH)(CC3)2	H(CC[5]HP)	C(C[5]C[5]N[5])(PCC)(H)2	P(CC[5]HH)(CC3)2	H(CC[5]HP)	107.7700	0.020	2	107.7700	0.000	2	108.4383	0.281	6	108.3045	2.904	136	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:4:	4:	C[5]-3:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5])(PCC)(H)2	P(CC[5]HH)(CCCH)2	H(CC[5]HP)	C(C[5]C[5]N[5])(PCC)(H)2	P(CC[5]HH)(CCCH)2	H(CC[5]HP)	108.7725	0.146	4	108.7725	0.021	4	108.4383	0.281	6	108.3045	2.904	136	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:4:	4:	C[5a]-3:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(C[5a]C[5a]N[5a])(PCC)(H)2	P(CC[5a]HH)(CC3)2	H(CC[5a]HP)	C(C[5a]C[5a]N[5a])(PCC)(H)2	P(CC[5a]HH)(CC3)2	H(CC[5a]HP)	108.4742	0.088	9	108.4742	0.008	9	108.8048	0.805	13	108.3045	2.904	136	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:4:	4:	C[5a]-3:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(C[5a]N[5a,6]C[5a])(PCC)(H)2	P(CC[5a]HH)(CCCH)2	H(CC[5a]HP)	C(C[5a]N[5a,6]C[5a])(PCC)(H)2	P(CC[5a]HH)(CCCH)2	H(CC[5a]HP)	109.5485	1.460	4	109.5485	2.133	4	108.8048	0.805	13	108.3045	2.904	136	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:4:	4:	C[6]-3:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(C[6]C[6]N[6])(PCC)(H)2	P(CC[6]HH)(CC3)2	H(CC[6]HP)	C(C[6]C[6]N[6])(PCC)(H)2	P(CC[6]HH)(CC3)2	H(CC[6]HP)	108.5368	0.606	5	108.5368	0.367	5	108.5368	0.367	5	108.3045	2.904	136	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(PCC)(H)2	P(CC[6a]HH)(CCCH)2	H(CC[6a]HP)	C(C[6a]C[5a,6a]C[6a])(PCC)(H)2	P(CC[6a]HH)(CCCH)2	H(CC[6a]HP)	106.9880	2.858	2	106.9880	8.169	2	108.7643	1.123	40	108.3045	2.904	136	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PCC)(H)2	P(CC[6a]HH)(CC3)2	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PCC)(H)2	P(CC[6a]HH)(CC3)2	H(CC[6a]HP)	108.3007	0.081	4	108.3007	0.007	4	108.7643	1.123	40	108.3045	2.904	136	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(PCC)(H)2	P(CC[6a]HH)(CBCC)(CC3)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PCC)(H)2	P(CC[6a]HH)(CBCC)(CC3)	H(CC[6a]HP)	110.6530	0.045	2	110.6530	0.002	2	108.7643	1.123	40	108.3045	2.904	136	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(PCC)(H)2	P(CC[6a]HH)(CC3)2	H(CC[6a]HP)	C(C[6a]C[6a]2)(PCC)(H)2	P(CC[6a]HH)(CC3)2	H(CC[6a]HP)	108.0377	0.204	6	108.0377	0.042	6	108.7643	1.123	40	108.3045	2.904	136	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(PCC)(H)2	P(CC[6a]HH)(CHHN)2	H(CC[6a]HP)	C(C[6a]C[6a]2)(PCC)(H)2	P(CC[6a]HH)(CHHN)2	H(CC[6a]HP)	108.9040	0.007	2	108.9040	0.000	2	108.7643	1.123	40	108.3045	2.904	136	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(PCC)(H)2	P(CC[6a]HH)3	H(CC[6a]HP)	C(C[6a]C[6a]2)(PCC)(H)2	P(CC[6a]HH)3	H(CC[6a]HP)	108.9579	0.872	20	108.9579	0.760	20	108.7643	1.123	40	108.3045	2.904	136	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PCC)(H)2	P(CC[6a]HH)3	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PCC)(H)2	P(CC[6a]HH)3	H(CC[6a]HP)	109.2235	0.787	4	109.2235	0.620	4	108.7643	1.123	40	108.3045	2.904	136	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:4:	4:	N-3:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(NCC)(PCC)(H)2	P(CHHN)3	H(CHNP)	C(NCC)(PCC)(H)2	P(CHHN)3	H(CHNP)	106.0475	1.759	6	106.0475	3.093	6	108.1063	3.364	18	108.3045	2.904	136	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:4:	4:	N-3:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(NC[6a]Al)(PCC)(H)2	P(CCCH)2(CHHN)	H(CHNP)	C(NC[6a]Al)(PCC)(H)2	P(CCCH)2(CHHN)	H(CHNP)	109.1495	0.071	4	109.1495	0.005	4	108.1063	3.364	18	108.3045	2.904	136	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:4:	4:	N-3:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(NC[6a]C)(PCC)(H)2	P(CC[6a]HH)(CHHN)2	H(CHNP)	C(NC[6a]C)(PCC)(H)2	P(CC[6a]HH)(CHHN)2	H(CHNP)	108.4652	0.049	4	108.4652	0.002	4	108.1063	3.364	18	108.3045	2.904	136	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:4:	4:	N-3:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(NC[6a]Sn)(PCC)(H)2	P(CHHN)(CC3)2	H(CHNP)	C(NC[6a]Sn)(PCC)(H)2	P(CHHN)(CC3)2	H(CHNP)	109.7922	0.104	4	109.7922	0.011	4	108.1063	3.364	18	108.3045	2.904	136	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:4:	4:	N-3:P-3:H-1:H-1:	C[5]-4:C-4:C-4:	C-4:	C(NC[6a]C)(PC[5]C)(H)2	P(C[5]C[5]2Fe)(CHHN)2	H(CHNP)	C(NC[6a]C)(PC[5]C)(H)2	P(C[5]C[5]2Fe)(CHHN)2	H(CHNP)	108.8258	0.436	11	108.8258	0.190	11	108.8258	0.190	11	108.3045	2.904	136	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:4:	4:	N[5]-3:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(N[5]C[5,6a]Ge[5])(PCC)(H)2	P(CN[5]HH)(CC3)2	H(CN[5]HP)	C(N[5]C[5,6a]Ge[5])(PCC)(H)2	P(CN[5]HH)(CC3)2	H(CN[5]HP)	109.3165	0.021	2	109.3165	0.000	2	109.3165	0.000	2	108.3045	2.904	136	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:4:	4:	N[5a]-3:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PCC)(H)2	P(CN[5a]HH)(CCCH)2	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PCC)(H)2	P(CN[5a]HH)(CCCH)2	H(CN[5a]HP)	108.6478	0.104	4	108.6478	0.011	4	108.6478	0.011	4	108.3045	2.904	136	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:4:	4:	N[5a]-3:P-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PC[6]2)(H)2	P(C[6]C[6]2H)2(CN[5a]HH)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PC[6]2)(H)2	P(C[6]C[6]2H)2(CN[5a]HH)	H(CN[5a]HP)	109.2100	0.239	2	109.2100	0.057	2	109.2100	0.057	2	108.3045	2.904	136	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:4:	4:	N[6]-3:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(N[6]C[6]2)(PCC)(H)2	P(CN[6]HH)3	H(CN[6]HP)	C(N[6]C[6]2)(PCC)(H)2	P(CN[6]HH)3	H(CN[6]HP)	108.8629	0.311	16	108.8629	0.097	16	108.8629	0.097	16	108.3045	2.904	136	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:4:	4:	P-3:N-3:H-1:H-1:	C[6]-4:C-4:C-4:	C-4:	C(PC[6]C)(NCC)(H)2	P(C[6]C[6]2H)(CCHH)(CHHN)	H(CHNP)	C(PC[6]C)(NCC)(H)2	P(C[6]C[6]2H)(CCHH)(CHHN)	H(CHNP)	107.4840	0.000	1	107.4840	0.000	1	107.4840	0.000	1	108.3045	2.904	136	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:4:	4:	P-3:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(PC[6]2)(PCC)(H)2	P(CHHP)(CC3)2	H(CHPP)	C(PC[6]2)(PCC)(H)2	P(CHHP)(CC3)2	H(CHPP)	107.2395	0.011	2	107.2395	0.000	2	108.8000	3.725	4	108.3045	2.904	136	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:4:	4:	P-3:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(PC[6a]2)(PCC)(H)2	P(CHHP)(CC3)2	H(CHPP)	C(PC[6a]2)(PCC)(H)2	P(CHHP)(CC3)2	H(CHPP)	110.3605	1.197	2	110.3605	1.433	2	108.8000	3.725	4	108.3045	2.904	136	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:4:	4:	P-3:P-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(PC[6]2)(PCC)(H)2	P(C[6]C[6]2H)2(CHHP)	H(CHPP)	C(PC[6]2)(PCC)(H)2	P(C[6]C[6]2H)2(CHHP)	H(CHPP)	107.2665	0.045	2	107.2665	0.002	2	106.7707	4.727	6	108.3045	2.904	136	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:1:1:	4:4:4:	4:	P-3:P-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(PC[6]2)2(H)2	P(C[6]C[6]2H)2(CHHP)	H(CHPP)	C(PC[6]2)2(H)2	P(C[6]C[6]2H)2(CHHP)	H(CHPP)	106.5228	2.763	4	106.5228	7.632	4	106.7707	4.727	6	108.3045	2.904	136	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:2:1:	3:3:4:	4:	P-3:P-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)2(CN)(H)	P(C[6a]C[6a]2)2(CCHP)	H(CCPP)	C(PC[6a]2)2(CN)(H)	P(C[6a]C[6a]2)2(CCHP)	H(CCPP)	109.0350	0.255	4	109.0350	0.065	4	109.0350	0.065	4	109.0350	0.065	4	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:P-3:H-1:	C[5]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(PC[6a]C[5])(H)	P(C[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]2H)	H(CC[6a]2P)	C(C[6a]C[6a]2)2(PC[6a]C[5])(H)	P(C[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]2H)	H(CC[6a]2P)	111.2600	0.000	1	111.2600	0.000	1	111.2600	0.000	1	108.0967	5.436	9	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:P-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2)(CCH)(H)	P(C[6a]C[6a]2)2(CC[6a]CH)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2)(CCH)(H)	P(C[6a]C[6a]2)2(CC[6a]CH)	H(CC[6a]CP)	109.3955	0.767	2	109.3955	0.589	2	109.3955	0.589	2	108.0967	5.436	9	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:3:1:	3:3:4:	4:	P-3:P-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)2(CCH)(H)	P(C[6a]C[6a]2)2(CCHP)	H(CCPP)	C(PC[6a]2)2(CCH)(H)	P(C[6a]C[6a]2)2(CCHP)	H(CCPP)	108.4990	0.014	2	108.4990	0.000	2	107.1365	4.798	6	108.0967	5.436	9	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:3:1:	3:3:4:	4:	P-3:P-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)2(COO)(H)	P(C[6a]C[6a]2)2(CCHP)	H(CCPP)	C(PC[6a]2)2(COO)(H)	P(C[6a]C[6a]2)2(CCHP)	H(CCPP)	106.4553	2.478	4	106.4553	6.141	4	107.1365	4.798	6	108.0967	5.436	9	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:3:1:	3:4:4:	4:	C[6a]-3:C[6a]-3:P-3:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)2(PC[6a]C)(H)	P(C[6a]C[6a]2)(CC[6a]2H)(CH3)	H(CC[6a]2P)	C(C[6a]C[6a]2)2(PC[6a]C)(H)	P(C[6a]C[6a]2)(CC[6a]2H)(CH3)	H(CC[6a]2P)	108.1045	0.063	2	108.1045	0.004	2	108.1045	0.004	2	108.1045	0.004	2	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:P-3:P-3:H-1:	C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PCC)2(H)	P(CC[6a]HP)(CCCH)2	H(CC[6a]PP)	C(C[6a]C[6a]N[6a])(PCC)2(H)	P(CC[6a]HP)(CCCH)2	H(CC[6a]PP)	107.4955	0.026	2	107.4955	0.001	2	107.4955	0.001	2	107.4955	0.001	2	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:4:1:	3:3:4:	4:	C[6]-3:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]N[6]2)(PC[6a]2)(CCHH)(H)	P(C[6a]C[6a]2)2(CC[6]CH)	H(CC[6]CP)	C(C[6]N[6]2)(PC[6a]2)(CCHH)(H)	P(C[6a]C[6a]2)2(CC[6]CH)	H(CC[6]CP)	107.1275	2.128	2	107.1275	4.527	2	107.1275	4.527	2	108.4577	4.002	15	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2)(CCHN)(H)	P(C[6a]C[6a]2)2(CC[6a]CH)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2)(CCHN)(H)	P(C[6a]C[6a]2)2(CC[6a]CH)	H(CC[6a]CP)	105.9705	0.798	2	105.9705	0.637	2	107.0026	2.114	5	108.4577	4.002	15	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2)(CHHP)(H)	P(C[6a]C[6a]2)2(CC[6a]CH)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2)(CHHP)(H)	P(C[6a]C[6a]2)2(CC[6a]CH)	H(CC[6a]CP)	107.6907	1.461	3	107.6907	2.134	3	107.0026	2.114	5	108.4577	4.002	15	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:4:1:	3:3:4:	4:	P-3:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)2(CCHH)(H)	P(C[6a]C[6a]2)2(CCHP)	H(CCPP)	C(PC[6a]2)2(CCHH)(H)	P(C[6a]C[6a]2)2(CCHP)	H(CCPP)	109.4845	1.759	6	109.4845	3.094	6	109.6997	2.369	8	108.4577	4.002	15	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:3:4:1:	3:3:4:	4:	P-3:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)2(CHPP)(H)	P(C[6a]C[6a]2)2(CCHP)	H(CCPP)	C(PC[6a]2)2(CHPP)(H)	P(C[6a]C[6a]2)2(CCHP)	H(CCPP)	110.3455	0.035	2	110.3455	0.001	2	109.6997	2.369	8	108.4577	4.002	15	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:1:1:	3:3:4:	4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[3]-3:C-4:	C-4:	C(PC[6a]C[3])(CCHH)(H)2	P(C[6a]C[6a]2)(C[3]C[3]2)(CCHH)	H(CCHP)	C(PC[6a]C[3])(CCHH)(H)2	P(C[6a]C[6a]2)(C[3]C[3]2)(CCHH)	H(CCHP)	109.5275	0.058	4	109.5275	0.003	4	109.5275	0.003	4	109.3067	1.491	126	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:1:1:	3:3:4:	4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)(CBHH)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	C(PC[6a]2)(CBHH)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	109.9016	0.610	14	109.9016	0.372	14	109.3027	1.656	113	109.3067	1.491	126	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:1:1:	3:3:4:	4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)(CC3)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	C(PC[6a]2)(CC3)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	108.3809	0.411	11	108.3809	0.169	11	109.3027	1.656	113	109.3067	1.491	126	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:1:1:	3:3:4:	4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)(CCCH)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	C(PC[6a]2)(CCCH)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	109.5290	0.030	2	109.5290	0.001	2	109.3027	1.656	113	109.3067	1.491	126	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:1:1:	3:3:4:	4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)(CCCO)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	C(PC[6a]2)(CCCO)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	108.2495	0.013	2	108.2495	0.000	2	109.3027	1.656	113	109.3067	1.491	126	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:1:1:	3:3:4:	4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)(CCHH)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	C(PC[6a]2)(CCHH)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	109.3590	0.414	13	109.3590	0.172	13	109.3027	1.656	113	109.3067	1.491	126	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:1:1:	3:3:4:	4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)(CCHO)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	C(PC[6a]2)(CCHO)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	108.7325	0.060	4	108.7325	0.004	4	109.3027	1.656	113	109.3067	1.491	126	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:1:1:	3:3:4:	4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)(CHHN)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	C(PC[6a]2)(CHHN)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	109.4268	0.381	10	109.4268	0.145	10	109.3027	1.656	113	109.3067	1.491	126	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:1:1:	3:3:4:	4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)(CHHO)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	C(PC[6a]2)(CHHO)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	108.2350	1.114	9	108.2350	1.242	9	109.3027	1.656	113	109.3067	1.491	126	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:1:1:	3:3:4:	4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	C(PC[6a]2)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	109.6632	1.833	39	109.6632	3.361	39	109.3027	1.656	113	109.3067	1.491	126	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:1:1:	3:3:4:	4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)(CHHS)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	C(PC[6a]2)(CHHS)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	109.2208	0.734	9	109.2208	0.539	9	109.3027	1.656	113	109.3067	1.491	126	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:1:1:	3:3:4:	4:	P-3:C-4:H-1:H-1:	C[6a]-3:P[5]-3:C-4:	C-4:	C(PC[6a]P[5])(CHHP)(H)2	P(C[6a]C[6a]2)(P[5]P[5]2)(CCHH)	H(CCHP)	C(PC[6a]P[5])(CHHP)(H)2	P(C[6a]C[6a]2)(P[5]P[5]2)(CCHH)	H(CCHP)	109.5835	0.019	2	109.5835	0.000	2	109.5835	0.000	2	109.3067	1.491	126	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:1:1:	3:3:4:	4:	P-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)(SiC3)(H)2	P(C[6a]C[6a]2)2(CSiHH)	H(CSiHP)	C(PC[6a]2)(SiC3)(H)2	P(C[6a]C[6a]2)2(CSiHH)	H(CSiHP)	109.2635	0.093	6	109.2635	0.009	6	109.1656	0.074	7	109.3067	1.491	126	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:1:1:	3:3:4:	4:	P-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)(SiCCN)(H)2	P(C[6a]C[6a]2)2(CSiHH)	H(CSiHP)	C(PC[6a]2)(SiCCN)(H)2	P(C[6a]C[6a]2)2(CSiHH)	H(CSiHP)	108.5780	0.000	1	108.5780	0.000	1	109.1656	0.074	7	109.3067	1.491	126	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:1:1:	3:4:1:	4:	P-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C-4:	C(PC[6a]H)(CCHH)(H)2	P(C[6a]C[6a]2)(CCHH)(H)	H(CCHP)	C(PC[6a]H)(CCHH)(H)2	P(C[6a]C[6a]2)(CCHH)(H)	H(CCHP)	109.2095	0.015	2	109.2095	0.000	2	108.8978	0.074	6	108.8978	0.074	6	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:1:1:	3:4:1:	4:	P-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C-4:	C(PC[6a]H)(CHHO)(H)2	P(C[6a]C[6a]2)(CCHH)(H)	H(CCHP)	C(PC[6a]H)(CHHO)(H)2	P(C[6a]C[6a]2)(CCHH)(H)	H(CCHP)	108.6015	0.029	2	108.6015	0.001	2	108.8978	0.074	6	108.8978	0.074	6	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:1:1:	3:4:1:	4:	P-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C-4:	C(PC[6a]H)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(H)	H(CCHP)	C(PC[6a]H)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(H)	H(CCHP)	108.8825	0.016	2	108.8825	0.000	2	108.8978	0.074	6	108.8978	0.074	6	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:1:1:	3:4:2:	4:	P-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:	C-4:	C(PC[6a]O)(CCHH)(H)2	P(C[6a]C[6a]2)(CCHH)(OC)	H(CCHP)	C(PC[6a]O)(CCHH)(H)2	P(C[6a]C[6a]2)(CCHH)(OC)	H(CCHP)	108.1015	6.837	2	108.1015	46.745	2	108.1015	46.745	2	108.1015	46.745	2	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:1:1:	3:4:3:	4:	P-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C-4:	C(PC[6a]C)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(CNN)	H(CCHP)	C(PC[6a]C)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(CNN)	H(CCHP)	109.2567	0.260	4	109.2567	0.068	4	109.2567	0.068	4	109.2567	0.068	4	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:1:1:	3:4:4:	4:	P-3:C-4:H-1:H-1:	C[5a]-3:C-4:C-4:	C-4:	C(PC[5a]C)(CH3)(H)2	P(C[5a]C[5a]N[5a])(CCHH)2	H(CCHP)	C(PC[5a]C)(CH3)(H)2	P(C[5a]C[5a]N[5a])(CCHH)2	H(CCHP)	109.1302	0.129	4	109.1302	0.017	4	109.1302	0.017	4	108.4035	8.182	41	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:1:1:	3:4:4:	4:	P-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]C)(CCHH)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHN)	H(CCHP)	C(PC[6a]C)(CCHH)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHN)	H(CCHP)	108.2630	3.948	20	108.2630	15.590	20	108.3249	9.025	37	108.4035	8.182	41	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:1:1:	3:4:4:	4:	P-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]C)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHN)	H(CCHP)	C(PC[6a]C)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHN)	H(CCHP)	108.3654	1.490	8	108.3654	2.221	8	108.3249	9.025	37	108.4035	8.182	41	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:1:1:	3:4:4:	4:	P-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]C)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHP)	H(CCHP)	C(PC[6a]C)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHP)	H(CCHP)	107.9164	1.163	5	107.9164	1.352	5	108.3249	9.025	37	108.4035	8.182	41	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:1:1:	3:4:4:	4:	P-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]C)(CHHP)(H)2	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	H(CCHP)	C(PC[6a]C)(CHHP)(H)2	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	H(CCHP)	109.0643	1.243	4	109.0643	1.545	4	108.3249	9.025	37	108.4035	8.182	41	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:1:1:	4:3:4:	4:	P-3:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C-4:	C-4:	C(PC[6a]C[5])(CCHH)(H)2	P(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCHH)	H(CCHP)	C(PC[6a]C[5])(CCHH)(H)2	P(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCHH)	H(CCHP)	109.5890	0.034	2	109.5890	0.001	2	109.5890	0.001	2	109.5890	0.001	2	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:1:1:	4:4:4:	4:	P-3:C-4:H-1:H-1:	C[5]-4:C-4:C-4:	C-4:	C(PC[5]C)(CCCH)(H)2	P(C[5]C[5]2Co)(CCHH)2	H(CCHP)	C(PC[5]C)(CCCH)(H)2	P(C[5]C[5]2Co)(CCHH)2	H(CCHP)	108.5233	0.295	8	108.5233	0.087	8	108.5233	0.087	8	108.4597	0.086	10	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:1:1:	4:4:4:	4:	P-3:C-4:H-1:H-1:	C[6]-4:C-4:C-4:	C-4:	C(PC[6]C)(CCHH)(H)2	P(C[6]C[6]2H)(CCHH)(CHHN)	H(CCHP)	C(PC[6]C)(CCHH)(H)2	P(C[6]C[6]2H)(CCHH)(CHHN)	H(CCHP)	108.2055	0.009	2	108.2055	0.000	2	108.2055	0.000	2	108.4597	0.086	10	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:3:1:	3:3:4:	4:	C[6]-3:P-4:P-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Fe)(PC[6a]2)(H)	P(C[6a]C[6a]2)2(CC[6]HP)	H(CC[6]PP)	C(C[6]C[6]N[6])(PC[6a]2Fe)(PC[6a]2)(H)	P(C[6a]C[6a]2)2(CC[6]HP)	H(CC[6]PP)	102.0870	0.000	1	102.0870	0.000	1	102.0870	0.000	1	102.0870	0.000	1	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:3:1:	3:4:3:	4:	P-3:C-4:C-3:H-1:	C[6]-3:C-4:C-3:	C-4:	C(PC[6]C)(CH3)(CHH)(H)	P(C[6]C[6]2)(CCCH)(CCC)	H(CCCP)	C(PC[6]C)(CH3)(CHH)(H)	P(C[6]C[6]2)(CCCH)(CCC)	H(CCCP)	108.6160	0.000	1	108.6160	0.000	1	108.6160	0.000	1	108.6160	0.000	1	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:3:1:	3:4:4:	4:	C[6a]-3:C-4:P-3:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]CC)(PC[6a]C)(H)	P(C[6a]C[6a]2)(CC[6a]CH)(CH3)	H(CC[6a]CP)	C(C[6a]C[6a]2)(CC[5]CC)(PC[6a]C)(H)	P(C[6a]C[6a]2)(CC[6a]CH)(CH3)	H(CC[6a]CP)	107.5720	0.000	1	107.5720	0.000	1	107.5720	0.000	1	107.5720	0.000	1	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:3:1:	4:4:4:	4:	C[6]-3:P-4:P-3:H-1:	C-4:C-4:C-4:	C-4:	C(C[6]C[6]N[6])(PCoCC)(PCC)(H)	P(CC[6]HP)(CCCH)2	H(CC[6]PP)	C(C[6]C[6]N[6])(PCoCC)(PCC)(H)	P(CC[6]HP)(CCCH)2	H(CC[6]PP)	106.3300	0.000	1	106.3300	0.000	1	106.3255	0.000	2	106.4943	0.086	3	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:3:1:	4:4:4:	4:	C[6]-3:P-4:P-3:H-1:	C-4:C-4:C-4:	C-4:	C(C[6]C[6]N[6])(PFeCC)(PCC)(H)	P(CC[6]HP)(CCCH)2	H(CC[6]PP)	C(C[6]C[6]N[6])(PFeCC)(PCC)(H)	P(CC[6]HP)(CCCH)2	H(CC[6]PP)	106.3210	0.000	1	106.3210	0.000	1	106.3255	0.000	2	106.4943	0.086	3	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C-4:P-3:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HP)(PC[6]2)(H)	P(C[6]C[6]2H)2(CC[6a]CH)	H(CC[6a]CP)	C(C[6a]C[6a]2)(CC[6a]HP)(PC[6]2)(H)	P(C[6]C[6]2H)2(CC[6a]CH)	H(CC[6a]CP)	106.8320	0.000	1	106.8320	0.000	1	106.8320	0.000	1	106.4943	0.086	3	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:4:1:	3:3:4:	4:	P-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)(CBHH)(CH3)(H)	P(C[6a]C[6a]2)2(CCCH)	H(CCCP)	C(PC[6a]2)(CBHH)(CH3)(H)	P(C[6a]C[6a]2)2(CCCH)	H(CCCP)	109.3319	1.196	7	109.3319	1.431	7	107.9224	6.364	12	107.0180	7.636	17	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:4:1:	3:3:4:	4:	P-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)(CCHH)(CH3)(H)	P(C[6a]C[6a]2)2(CCCH)	H(CCCP)	C(PC[6a]2)(CCHH)(CH3)(H)	P(C[6a]C[6a]2)2(CCCH)	H(CCCP)	106.5670	0.000	1	106.5670	0.000	1	107.9224	6.364	12	107.0180	7.636	17	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:4:1:	3:3:4:	4:	P-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)(CH3)2(H)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	H(CCCP)	C(PC[6a]2)(CH3)2(H)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	H(CCCP)	109.9180	0.000	1	109.9180	0.000	1	107.9224	6.364	12	107.0180	7.636	17	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:4:1:	3:3:4:	4:	P-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)(CH3)2(H)	P(C[6a]C[6a,6a]C[6a])2(CCCH)	H(CCCP)	C(PC[6a]2)(CH3)2(H)	P(C[6a]C[6a,6a]C[6a])2(CCCH)	H(CCCP)	104.4203	1.565	3	104.4203	2.450	3	107.9224	6.364	12	107.0180	7.636	17	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:4:1:	3:3:4:	4:	P-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2)(SiC3)2(H)	P(C[6a]C[6a]2)2(CSi2H)	H(CSi2P)	C(PC[6a]2)(SiC3)2(H)	P(C[6a]C[6a]2)2(CSi2H)	H(CSi2P)	107.2040	0.488	2	107.2040	0.238	2	107.2040	0.238	2	107.0180	7.636	17	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:4:1:	3:3:4:	4:	P-3:Si-4:Si-4:H-1:	C[6a]-3:Ge[4]-3:C-4:	C-4:	C(PC[6a]Ge[4])(SiC3)2(H)	P(C[6a]C[6a]2)(Ge[4]P[4]2)(CSi2H)	H(CSi2P)	C(PC[6a]Ge[4])(SiC3)2(H)	P(C[6a]C[6a]2)(Ge[4]P[4]2)(CSi2H)	H(CSi2P)	103.2763	0.168	3	103.2763	0.028	3	103.2763	0.028	3	107.0180	7.636	17	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:4:1:	3:4:1:	4:	P-3:Si-4:Si-4:H-1:	C[6a]-3:C-4:Cl-1:	C-4:	C(PC[6a]Cl)(SiC3)2(H)	P(C[6a]C[6a]2)(CSi2H)(Cl)	H(CSi2P)	C(PC[6a]Cl)(SiC3)2(H)	P(C[6a]C[6a]2)(CSi2H)(Cl)	H(CSi2P)	106.8970	0.000	1	106.8970	0.000	1	106.8970	0.000	1	106.8970	0.000	1	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:4:1:	3:4:2:	4:	P-3:Si-4:Si-4:H-1:	C[6a]-3:C-4:Ge-2:	C-4:	C(PC[6a]Ge)(SiC3)2(H)	P(C[6a]C[6a]2)(CSi2H)(GeCl)	H(CSi2P)	C(PC[6a]Ge)(SiC3)2(H)	P(C[6a]C[6a]2)(CSi2H)(GeCl)	H(CSi2P)	106.6640	0.000	1	106.6640	0.000	1	104.8700	12.571	3	104.8700	12.571	3	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:4:1:	3:4:2:	4:	P-3:Si-4:Si-4:H-1:	C[6a]-3:C-4:Ge-2:	C-4:	C(PC[6a]Ge)(SiC3)2(H)	P(C[6a]C[6a]2)(CSi2H)(GeP)	H(CSi2P)	C(PC[6a]Ge)(SiC3)2(H)	P(C[6a]C[6a]2)(CSi2H)(GeP)	H(CSi2P)	103.9730	4.507	2	103.9730	20.314	2	104.8700	12.571	3	104.8700	12.571	3	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:4:1:	3:4:4:	4:	P-3:C-4:C-4:H-1:	C[6]-3:C-4:C-4:	C-4:	C(PC[6]C)(CH3)2(H)	P(C[6]C[6]2)(CCCH)2	H(CCCP)	C(PC[6]C)(CH3)2(H)	P(C[6]C[6]2)(CCCH)2	H(CCCP)	105.7010	4.411	4	105.7010	19.455	4	105.7010	19.455	4	107.8015	3.163	174	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:4:1:	3:4:4:	4:	P-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]C)(CCHH)2(H)	P(C[6a]C[6a]2)(CCCH)2	H(CCCP)	C(PC[6a]C)(CCHH)2(H)	P(C[6a]C[6a]2)(CCCH)2	H(CCCP)	107.7200	0.509	2	107.7200	0.259	2	107.8839	2.594	160	107.8015	3.163	174	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:4:1:	3:4:4:	4:	P-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]C)(CH3)2(H)	P(C[6a]C[5a,6a]C[6a])(CCCH)2	H(CCCP)	C(PC[6a]C)(CH3)2(H)	P(C[6a]C[5a,6a]C[6a])(CCCH)2	H(CCCP)	108.2518	1.075	4	108.2518	1.157	4	107.8839	2.594	160	107.8015	3.163	174	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:4:1:	3:4:4:	4:	P-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]C)(CH3)2(H)	P(C[6a]C[6,6a]C[6a])(CCCH)2	H(CCCP)	C(PC[6a]C)(CH3)2(H)	P(C[6a]C[6,6a]C[6a])(CCCH)2	H(CCCP)	107.4891	2.284	8	107.4891	5.216	8	107.8839	2.594	160	107.8015	3.163	174	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:4:1:	3:4:4:	4:	P-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]C)(CH3)2(H)	P(C[6a]C[6a,6a]2)(CCCH)2	H(CCCP)	C(PC[6a]C)(CH3)2(H)	P(C[6a]C[6a,6a]2)(CCCH)2	H(CCCP)	109.4613	0.225	4	109.4613	0.051	4	107.8839	2.594	160	107.8015	3.163	174	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:4:1:	3:4:4:	4:	P-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]C)(CH3)2(H)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	H(CCCP)	C(PC[6a]C)(CH3)2(H)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	H(CCCP)	107.8923	1.446	56	107.8923	2.091	56	107.8839	2.594	160	107.8015	3.163	174	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:4:1:	3:4:4:	4:	P-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]C)(CH3)2(H)	P(C[6a]C[6a]2)(CCCH)2	H(CCCP)	C(PC[6a]C)(CH3)2(H)	P(C[6a]C[6a]2)(CCCH)2	H(CCCP)	107.8089	1.704	82	107.8089	2.905	82	107.8839	2.594	160	107.8015	3.163	174	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:4:1:	3:4:4:	4:	P-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]C)(CH3)2(H)	P(C[6a]C[6a]N[6a])(CCCH)2	H(CCCP)	C(PC[6a]C)(CH3)2(H)	P(C[6a]C[6a]N[6a])(CCCH)2	H(CCCP)	108.2327	1.727	4	108.2327	2.981	4	107.8839	2.594	160	107.8015	3.163	174	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:4:1:	3:4:4:	4:	P-3:C-4:C-4:H-1:	N[5]-3:C-4:C-4:	C-4:	C(PN[5]C)(CH3)2(H)	P(N[5]C[5]2)(CCCH)2	H(CCCP)	C(PN[5]C)(CH3)2(H)	P(N[5]C[5]2)(CCCH)2	H(CCCP)	107.6075	2.586	2	107.6075	6.687	2	107.6075	6.687	2	107.8015	3.163	174	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:4:1:	3:4:4:	4:	P-3:C-4:C-4:H-1:	N[6]-3:C-4:C-4:	C-4:	C(PN[6]C)(CH3)2(H)	P(N[6]B[6,6]C[6])(CCCH)2	H(CCCP)	C(PN[6]C)(CH3)2(H)	P(N[6]B[6,6]C[6])(CCCH)2	H(CCCP)	108.8778	0.196	4	108.8778	0.039	4	108.8778	0.039	4	107.8015	3.163	174	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:4:1:	3:4:4:	4:	P-3:C-4:C-4:H-1:	Si[4]-3:C-4:C-4:	C-4:	C(PSi[4]C)(CH3)2(H)	P(Si[4]N[4]2)(CCCH)2	H(CCCP)	C(PSi[4]C)(CH3)2(H)	P(Si[4]N[4]2)(CCCH)2	H(CCCP)	107.9230	2.329	2	107.9230	5.425	2	107.9230	5.425	2	107.8015	3.163	174	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:4:1:	3:4:4:	4:	P-3:Si-4:Si-4:H-1:	C[6a]-3:C-4:B-4:	C-4:	C(PC[6a]B)(SiC3)2(H)	P(C[6a]C[6a]2)(CSi2H)(BH3)	H(CSi2P)	C(PC[6a]B)(SiC3)2(H)	P(C[6a]C[6a]2)(CSi2H)(BH3)	H(CSi2P)	103.3310	0.847	2	103.3310	0.718	2	103.3310	0.718	2	107.8015	3.163	174	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:4:1:	4:4:4:	4:	P-3:C-4:C-4:H-1:	C[5]-4:C-4:C-4:	C-4:	C(PC[5]C)(CH3)2(H)	P(C[5]C[5,6]C[5]Ru)(CCCH)2	H(CCCP)	C(PC[5]C)(CH3)2(H)	P(C[5]C[5,6]C[5]Ru)(CCCH)2	H(CCCP)	108.0570	1.881	2	108.0570	3.538	2	107.7786	2.039	16	107.6818	2.304	20	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:4:1:	4:4:4:	4:	P-3:C-4:C-4:H-1:	C[5]-4:C-4:C-4:	C-4:	C(PC[5]C)(CH3)2(H)	P(C[5]C[5]2Fe)(CCCH)2	H(CCCP)	C(PC[5]C)(CH3)2(H)	P(C[5]C[5]2Fe)(CCCH)2	H(CCCP)	107.8155	1.622	8	107.8155	2.630	8	107.7786	2.039	16	107.6818	2.304	20	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:4:1:	4:4:4:	4:	P-3:C-4:C-4:H-1:	C[5]-4:C-4:C-4:	C-4:	C(PC[5]C)(CH3)2(H)	P(C[5]C[5]2Zr)(CCCH)2	H(CCCP)	C(PC[5]C)(CH3)2(H)	P(C[5]C[5]2Zr)(CCCH)2	H(CCCP)	107.6365	1.292	6	107.6365	1.670	6	107.7786	2.039	16	107.6818	2.304	20	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:4:1:	4:4:4:	4:	P-3:C-4:C-4:H-1:	P[5]-4:C-4:C-4:	C-4:	C(PP[5]C)(CH3)2(H)	P(P[5]Ga[5,6]P[5]Co)(CCCH)2	H(CCCP)	C(PP[5]C)(CH3)2(H)	P(P[5]Ga[5,6]P[5]Co)(CCCH)2	H(CCCP)	107.2947	2.036	4	107.2947	4.146	4	107.2947	4.146	4	107.6818	2.304	20	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	3:4:4:1:	5:4:4:	4:	P-3:C-4:C-4:H-1:	C[3x3,4,3x5,14x6]-5:C-4:C-4:	C-4:	C(PC[3x3,4,3x5,14x6]C)(CH3)2(H)	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCCH)2	H(CCCP)	C(PC[3x3,4,3x5,14x6]C)(CH3)2(H)	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCCH)2	H(CCCP)	106.7044	3.785	8	106.7044	14.327	8	106.7044	14.327	8	106.7044	14.327	8	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	B-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]2C)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CBHH)	H(CBHP)	C(BC[6a]2C)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CBHH)	H(CBHP)	107.6691	0.448	7	107.6691	0.200	7	107.5738	0.174	23	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	B-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]CC)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CBHH)	H(CBHP)	C(BC[6a]CC)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CBHH)	H(CBHP)	107.5321	0.411	16	107.5321	0.169	16	107.5738	0.174	23	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	B[6]-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(B[6]C[6a]C[6]P[6])(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CB[6]HH)	H(CB[6]HP)	C(B[6]C[6a]C[6]P[6])(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CB[6]HH)	H(CB[6]HP)	109.0790	0.304	6	109.0790	0.092	6	109.0790	0.092	6	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	C-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[3x3,4,3x5,14x6]CH)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	C(CC[3x3,4,3x5,14x6]CH)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	108.8585	0.021	2	108.8585	0.000	2	108.9130	1.261	27	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	C-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[4]HH)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	C(CC[4]HH)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	109.5617	0.067	3	109.5617	0.004	3	108.9130	1.261	27	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	C-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[5]HH)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	C(CC[5]HH)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	109.3995	0.173	6	109.3995	0.030	6	108.9130	1.261	27	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	C-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]HN)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	C(CC[6a]HN)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	107.9170	0.018	2	107.9170	0.000	2	108.9130	1.261	27	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	C-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]HP)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	C(CC[6a]HP)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	107.8782	1.912	6	107.8782	3.656	6	108.9130	1.261	27	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	C-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CN[5]HH)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	C(CN[5]HH)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	109.0395	0.531	4	109.0395	0.282	4	108.9130	1.261	27	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	C-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CN[6]CH)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	C(CN[6]CH)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	109.6170	0.167	2	109.6170	0.028	2	108.9130	1.261	27	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	C-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CN[6]HH)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	C(CN[6]HH)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CCHH)	H(CCHP)	109.6790	0.375	2	109.6790	0.140	2	108.9130	1.261	27	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	C[5]-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CC[5]HH)	H(CC[5]HP)	C(C[5]C[5]2Fe)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CC[5]HH)	H(CC[5]HP)	108.9875	0.022	2	108.9875	0.000	2	107.7860	8.973	4	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	C[5]-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CC[5]HH)	H(CC[5]HP)	C(C[5]C[5]N[5]H)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CC[5]HH)	H(CC[5]HP)	106.5845	4.598	2	106.5845	21.145	2	107.7860	8.973	4	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	C[6]-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]2C)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CC[6]HH)	H(CC[6]HP)	C(C[6]C[6]2C)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CC[6]HH)	H(CC[6]HP)	108.3260	3.291	2	108.3260	10.830	2	108.3260	10.830	2	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	P-4:P-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(PC[6]2Fe)(PC[6]2)(H)2	P(C[6]C[6]2)2(CHHP)	H(CHPP)	C(PC[6]2Fe)(PC[6]2)(H)2	P(C[6]C[6]2)2(CHHP)	H(CHPP)	107.8325	3.084	2	107.8325	9.509	2	107.8325	9.509	2	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2B)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	C(PC[6a]2B)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	110.5235	2.077	4	110.5235	4.312	4	109.0917	1.102	46	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2C[5])(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	C(PC[6a]2C[5])(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	108.8708	0.726	4	108.8708	0.527	4	109.0917	1.102	46	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2Cu)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	C(PC[6a]2Cu)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	109.1970	0.041	2	109.1970	0.002	2	109.0917	1.102	46	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2Fe)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	C(PC[6a]2Fe)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	109.2020	0.000	1	109.2020	0.000	1	109.0917	1.102	46	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2N)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	C(PC[6a]2N)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	108.3100	0.000	1	108.3100	0.000	1	109.0917	1.102	46	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2Ni)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	C(PC[6a]2Ni)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	108.0997	0.534	6	108.0997	0.285	6	109.0917	1.102	46	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2P)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	C(PC[6a]2P)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	109.4082	0.391	6	109.4082	0.153	6	109.0917	1.102	46	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2Pd)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	C(PC[6a]2Pd)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	109.7715	0.047	2	109.7715	0.002	2	109.0917	1.102	46	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2Pt)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	C(PC[6a]2Pt)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	109.0743	0.158	6	109.0743	0.025	6	109.0917	1.102	46	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2Rh)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	C(PC[6a]2Rh)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	110.1838	0.243	4	110.1838	0.059	4	109.0917	1.102	46	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2Ru)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	C(PC[6a]2Ru)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	106.8105	0.026	2	106.8105	0.001	2	109.0917	1.102	46	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]PdC)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	C(PC[6a]PdC)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	109.1565	0.111	4	109.1565	0.012	4	109.0917	1.102	46	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]PtC)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	C(PC[6a]PtC)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	H(CHPP)	108.6797	0.242	4	108.6797	0.059	4	109.0917	1.102	46	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:3:4:	4:	Si-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(SiC[6a]CC)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CSiHH)	H(CSiHP)	C(SiC[6a]CC)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CSiHH)	H(CSiHP)	107.3765	0.047	2	107.3765	0.002	2	107.3765	0.002	2	108.6228	1.623	112	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:4:4:	4:	C-4:P-3:H-1:H-1:	N-3:C-4:C-4:	C-4:	C(CH3)(PCN)(H)2	P(NC[6]H)(CCHH)2	H(CCHP)	C(CH3)(PCN)(H)2	P(NC[6]H)(CCHH)2	H(CCHP)	109.4958	0.033	4	109.4958	0.001	4	109.4958	0.001	4	108.5984	0.554	27	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:4:4:	4:	C[5]-4:P-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(C[5]C[5]2Ti)(PC[6a]C)(H)2	P(C[6a]C[6a]2)(CC[5]HH)(CTiCC)	H(CC[5]HP)	C(C[5]C[5]2Ti)(PC[6a]C)(H)2	P(C[6a]C[6a]2)(CC[5]HH)(CTiCC)	H(CC[5]HP)	109.1955	0.012	2	109.1955	0.000	2	109.1955	0.000	2	108.5984	0.554	27	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:4:4:	4:	P-4:P-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]2Pd)(PC[6a]C)(H)2	P(C[6a]C[6a]2)(CHHP)2	H(CHPP)	C(PC[6a]2Pd)(PC[6a]C)(H)2	P(C[6a]C[6a]2)(CHHP)2	H(CHPP)	108.2604	0.708	8	108.2604	0.501	8	108.3707	0.469	21	108.5984	0.554	27	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:4:4:	4:	P-4:P-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]FeC)(PC[6a]C)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHP)	H(CHPP)	C(PC[6a]FeC)(PC[6a]C)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHP)	H(CHPP)	107.2335	0.045	2	107.2335	0.002	2	108.3707	0.469	21	108.5984	0.554	27	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:4:4:	4:	P-4:P-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]NiC)(PC[6a]C)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHP)	H(CHPP)	C(PC[6a]NiC)(PC[6a]C)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHP)	H(CHPP)	108.3050	0.019	3	108.3050	0.000	3	108.3707	0.469	21	108.5984	0.554	27	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	3:4:4:	4:	P-4:P-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]PdC)(PC[6a]C)(H)2	P(C[6a]C[6a]2)(CHHP)2	H(CHPP)	C(PC[6a]PdC)(PC[6a]C)(H)2	P(C[6a]C[6a]2)(CHHP)2	H(CHPP)	108.7899	0.501	8	108.7899	0.251	8	108.3707	0.469	21	108.5984	0.554	27	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:1:1:	4:	C-4:P-3:H-1:H-1:	C-4:H-1:H-1:	C-4:	C(CHHP)(PHH)(H)2	P(CCHH)(H)2	H(CCHP)	C(CHHP)(PHH)(H)2	P(CCHH)(H)2	H(CCHP)	107.9795	0.021	2	107.9795	0.000	2	107.9795	0.000	2	108.2787	0.269	3	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:1:1:	4:	C[5]-4:P-3:H-1:H-1:	C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(PHH)(H)2	P(CC[5]HH)(H)2	H(CC[5]HP)	C(C[5]C[5]2Fe)(PHH)(H)2	P(CC[5]HH)(H)2	H(CC[5]HP)	108.8770	0.000	1	108.8770	0.000	1	108.8770	0.000	1	108.2787	0.269	3	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:3:3:	4:	Si-4:P-3:H-1:H-1:	C-4:P-3:P-3:	C-4:	C(SiC3)(PPP)(H)2	P(CSiHH)(PSi2)2	H(CSiHP)	C(SiC3)(PPP)(H)2	P(CSiHH)(PSi2)2	H(CSiHP)	108.2365	0.005	2	108.2365	0.000	2	108.2365	0.000	2	108.2365	0.000	2	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:1:	4:	C-4:P-3:H-1:H-1:	C-4:C-4:I-1:	C-4:	C(CHHP)(PCI)(H)2	P(CCHH)(CC3)(I)	H(CCHP)	C(CHHP)(PCI)(H)2	P(CCHH)(CC3)(I)	H(CCHP)	109.7865	0.035	2	109.7865	0.001	2	109.7865	0.001	2	109.7865	0.001	2	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:3:	4:	C-4:P-3:H-1:H-1:	C-4:C-4:P-3:	C-4:	C(CHHP)(PCP)(H)2	P(CCHH)(CC3)(PCC)	H(CCHP)	C(CHHP)(PCP)(H)2	P(CCHH)(CC3)(PCC)	H(CCHP)	109.2887	0.094	3	109.2887	0.009	3	109.2887	0.009	3	109.5142	0.083	13	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:3:	4:	C-4:P-3:H-1:H-1:	P-4:C-4:P-3:	C-4:	C(CH3)(PPP)(H)2	P(PC[6a]3)(CCHH)(PCP)	H(CCHP)	C(CH3)(PPP)(H)2	P(PC[6a]3)(CCHH)(PCP)	H(CCHP)	109.6678	0.099	6	109.6678	0.010	6	109.5818	0.086	10	109.5142	0.083	13	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:3:	4:	C-4:P-3:H-1:H-1:	P-4:C-4:P-3:	C-4:	C(CH3)(PPP)(H)2	P(PRhCP)(CCHH)(PRhC)	H(CCHP)	C(CH3)(PPP)(H)2	P(PRhCP)(CCHH)(PRhC)	H(CCHP)	109.4527	0.452	4	109.4527	0.205	4	109.5818	0.086	10	109.5142	0.083	13	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:4:	4:	B-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(BC[6a]2C)(PCC)(H)2	P(CBHH)(CC3)2	H(CBHP)	C(BC[6a]2C)(PCC)(H)2	P(CBHH)(CC3)2	H(CBHP)	105.3430	0.259	8	105.3430	0.067	8	106.7241	1.230	22	108.4245	3.095	240	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:4:	4:	B-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(BC[6a]CC)(PCC)(H)2	P(CBHH)(CCCH)2	H(CBHP)	C(BC[6a]CC)(PCC)(H)2	P(CBHH)(CCCH)2	H(CBHP)	107.5134	0.327	14	107.5134	0.107	14	106.7241	1.230	22	108.4245	3.095	240	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:4:	4:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(CCCO)(PCC)(H)2	P(CCHH)(CC3)2	H(CCHP)	C(CCCO)(PCC)(H)2	P(CCHH)(CC3)2	H(CCHP)	108.8606	0.315	17	108.8606	0.099	17	108.7730	2.329	149	108.4245	3.095	240	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:4:	4:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(CCHH)(PCC)(H)2	P(CCHH)(CC3)2	H(CCHP)	C(CCHH)(PCC)(H)2	P(CCHH)(CC3)2	H(CCHP)	108.1540	0.000	1	108.1540	0.000	1	108.7730	2.329	149	108.4245	3.095	240	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:4:	4:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(CCHH)(PCC)(H)2	P(CCHH)3	H(CCHP)	C(CCHH)(PCC)(H)2	P(CCHH)3	H(CCHP)	109.1139	1.978	34	109.1139	3.913	34	108.7730	2.329	149	108.4245	3.095	240	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:4:	4:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(CCHH)(PCC)(H)2	P(CN[5a]3)(CCHH)2	H(CCHP)	C(CCHH)(PCC)(H)2	P(CN[5a]3)(CCHH)2	H(CCHP)	109.0540	0.225	2	109.0540	0.051	2	108.7730	2.329	149	108.4245	3.095	240	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:4:	4:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(CC[5]HH)(PCC)(H)2	P(CCHH)3	H(CCHP)	C(CC[5]HH)(PCC)(H)2	P(CCHH)3	H(CCHP)	108.9132	0.135	6	108.9132	0.018	6	108.7730	2.329	149	108.4245	3.095	240	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:4:	4:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(CH3)(PCC)(H)2	P(CCHH)3	H(CCHP)	C(CH3)(PCC)(H)2	P(CCHH)3	H(CCHP)	107.6040	2.038	12	107.6040	4.153	12	108.7730	2.329	149	108.4245	3.095	240	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:4:	4:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(CHHN)(PCC)(H)2	P(CCCH)2(CCHH)	H(CCHP)	C(CHHN)(PCC)(H)2	P(CCCH)2(CCHH)	H(CCHP)	108.8760	0.623	25	108.8760	0.388	25	108.7730	2.329	149	108.4245	3.095	240	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:4:	4:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(CHHP)(PCC)(H)2	P(CCCH)2(CCHH)	H(CCHP)	C(CHHP)(PCC)(H)2	P(CCCH)2(CCHH)	H(CCHP)	108.8644	0.210	8	108.8644	0.044	8	108.7730	2.329	149	108.4245	3.095	240	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:4:	4:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(CHHP)(PCC)(H)2	P(CCHH)(CC3)2	H(CCHP)	C(CHHP)(PCC)(H)2	P(CCHH)(CC3)2	H(CCHP)	109.0343	1.898	26	109.0343	3.602	26	108.7730	2.329	149	108.4245	3.095	240	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:4:	4:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(CHHP)(PCC)(H)2	P(CCHH)(CH3)2	H(CCHP)	C(CHHP)(PCC)(H)2	P(CCHH)(CH3)2	H(CCHP)	108.4978	0.573	10	108.4978	0.328	10	108.7730	2.329	149	108.4245	3.095	240	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:4:	4:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(CHHP)(PCC)(H)2	P(CCHH)(CHHN)2	H(CCHP)	C(CHHP)(PCC)(H)2	P(CCHH)(CHHN)2	H(CCHP)	104.7470	2.824	2	104.7470	7.976	2	108.7730	2.329	149	108.4245	3.095	240	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:4:	4:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(CHHP)(PCC)(H)2	P(CCHH)(CHHO)2	H(CCHP)	C(CHHP)(PCC)(H)2	P(CCHH)(CHHO)2	H(CCHP)	109.3775	0.631	2	109.3775	0.399	2	108.7730	2.329	149	108.4245	3.095	240	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:4:	4:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(CN[5a]HH)(PCC)(H)2	P(CCHH)(CC3)2	H(CCHP)	C(CN[5a]HH)(PCC)(H)2	P(CCHH)(CC3)2	H(CCHP)	108.6878	0.050	4	108.6878	0.003	4	108.7730	2.329	149	108.4245	3.095	240	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:4:	4:	C[3x6]-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(C[3x6]C[6,6]3)(PCC)(H)2	P(CC[3x6]HH)(CCCH)2	H(CC[3x6]HP)	C(C[3x6]C[6,6]3)(PCC)(H)2	P(CC[3x6]HH)(CCCH)2	H(CC[3x6]HP)	108.2030	0.000	1	108.2030	0.000	1	108.2030	0.000	1	108.4245	3.095	240	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:4:	4:	C[5]-4:P-3:H-1:H-1:	C[6]-4:C-4:C-4:	C-4:	C(C[5]C[5]2Fe)(PC[6]C)(H)2	P(C[6]C[6]2H)(CC[5]HH)2	H(CC[5]HP)	C(C[5]C[5]2Fe)(PC[6]C)(H)2	P(C[6]C[6]2H)(CC[5]HH)2	H(CC[5]HP)	109.2387	0.027	4	109.2387	0.001	4	109.2387	0.001	4	108.4245	3.095	240	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:4:	4:	N-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(NCCH)(PCC)(H)2	P(CCHH)(CHHN)2	H(CHNP)	C(NCCH)(PCC)(H)2	P(CCHH)(CHHN)2	H(CHNP)	106.3402	1.174	4	106.3402	1.378	4	108.1311	4.893	58	108.4245	3.095	240	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:4:	4:	N-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(NCCH)(PCC)(H)2	P(CHHN)3	H(CHNP)	C(NCCH)(PCC)(H)2	P(CHHN)3	H(CHNP)	106.1891	2.222	19	106.1891	4.938	19	108.1311	4.893	58	108.4245	3.095	240	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:4:	4:	N-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(NCHH)(PCC)(H)2	P(CHHN)3	H(CHNP)	C(NCHH)(PCC)(H)2	P(CHHN)3	H(CHNP)	109.9097	0.067	29	109.9097	0.005	29	108.1311	4.893	58	108.4245	3.095	240	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:4:	4:	N-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(NC[6a]Mg2)(PCC)(H)2	P(CHHN)3	H(CHNP)	C(NC[6a]Mg2)(PCC)(H)2	P(CHHN)3	H(CHNP)	106.8778	0.129	6	106.8778	0.017	6	108.1311	4.893	58	108.4245	3.095	240	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:4:	4:	P-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(PCCP)(PCC)(H)2	P(CHHP)(CH3)2	H(CHPP)	C(PCCP)(PCC)(H)2	P(CHHP)(CH3)2	H(CHPP)	107.8410	0.023	2	107.8410	0.001	2	108.3340	0.151	6	108.4245	3.095	240	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:4:	4:	P-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(PC[6a]2B)(PCC)(H)2	P(CCCH)2(CHHP)	H(CHPP)	C(PC[6a]2B)(PCC)(H)2	P(CCCH)2(CHHP)	H(CHPP)	108.5005	0.008	2	108.5005	0.000	2	108.3340	0.151	6	108.4245	3.095	240	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:1:1:	4:4:4:	4:	P-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(PSiCC)(PCC)(H)2	P(CHHP)(CH3)2	H(CHPP)	C(PSiCC)(PCC)(H)2	P(CHHP)(CH3)2	H(CHPP)	108.6605	0.005	2	108.6605	0.000	2	108.3340	0.151	6	108.4245	3.095	240	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:P-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(PC[6a]2)(H)	P(CC[6a]C[5]H)(C[6a]C[6a]2)2	H(CC[6a]C[5]P)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(PC[6a]2)(H)	P(CC[6a]C[5]H)(C[6a]C[6a]2)2	H(CC[6a]C[5]P)	108.0670	0.000	1	108.0670	0.000	1	108.0670	0.000	1	108.0670	0.000	1	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:4:1:	3:3:4:	4:	C[5]-4:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(PC[6a]2)(CCHH)(H)	P(C[6a]C[6a]2)2(CC[5]CH)	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[6a]2)(CCHH)(H)	P(C[6a]C[6a]2)2(CC[5]CH)	H(CC[5]CP)	109.0240	0.709	5	109.0240	0.502	5	108.9856	1.283	10	108.7462	1.785	11	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:4:1:	3:3:4:	4:	C[5]-4:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(PC[6a]2)(CH3)(H)	P(C[6a]C[6a]2)2(CC[5]CH)	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[6a]2)(CH3)(H)	P(C[6a]C[6a]2)2(CC[5]CH)	H(CC[5]CP)	108.3913	1.898	3	108.3913	3.602	3	108.9856	1.283	10	108.7462	1.785	11	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:4:1:	3:3:4:	4:	C[5]-4:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]P[5]Ru)(PC[6a]2)(CH3)(H)	P(C[6a]C[6a]2)2(CC[5]CH)	H(CC[5]CP)	C(C[5]C[5]P[5]Ru)(PC[6a]2)(CH3)(H)	P(C[6a]C[6a]2)2(CC[5]CH)	H(CC[5]CP)	109.7810	0.064	2	109.7810	0.004	2	108.9856	1.283	10	108.7462	1.785	11	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:4:1:	3:3:4:	4:	C[6]-4:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]2Cr)(PC[6a]2)(CH3)(H)	P(C[6a]C[6a]2)2(CC[6]CH)	H(CC[6]CP)	C(C[6]C[6]2Cr)(PC[6a]2)(CH3)(H)	P(C[6a]C[6a]2)2(CC[6]CH)	H(CC[6]CP)	106.3520	0.000	1	106.3520	0.000	1	106.3520	0.000	1	108.7462	1.785	11	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:4:1:	4:4:1:	4:	C[5]-4:P-3:C-4:H-1:	C[3x6]-4:C-4:H-1:	C-4:	C(C[5]C[5]2Fe)(PC[3x6]H)(CH3)(H)	P(C[3x6]C[6,6]3)(CC[5]CH)(H)	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[3x6]H)(CH3)(H)	P(C[3x6]C[6,6]3)(CC[5]CH)(H)	H(CC[5]CP)	110.1320	0.000	1	110.1320	0.000	1	110.1320	0.000	1	110.1320	0.000	1	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:4:1:	4:4:4:	4:	C[5]-4:P-3:C-4:H-1:	C[6]-4:C-4:C-4:	C-4:	C(C[5]C[5]2Fe)(PC[6]C)(CH3)(H)	P(C[6]C[6]2H)(CC[5]CH)2	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[6]C)(CH3)(H)	P(C[6]C[6]2H)(CC[5]CH)2	H(CC[5]CP)	107.5805	2.360	2	107.5805	5.568	2	107.5805	5.568	2	107.5932	1.256	6	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:3:4:1:	4:4:4:	4:	C[5]-4:P-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[5]C[5]2Fe)(PC[6]2)(CCHH)(H)	P(C[6]C[6]2H)2(CC[5]CH)	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[6]2)(CCHH)(H)	P(C[6]C[6]2H)2(CC[5]CH)	H(CC[5]CP)	107.5995	0.487	4	107.5995	0.237	4	107.5995	0.237	4	107.5932	1.256	6	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	2:2:4:	4:	C-4:C-4:P-3:H-1:	N-2:N-2:C-4:	C-4:	C(CH3)2(PNN)(H)	P(NC[5])2(CCCH)	H(CCCP)	C(CH3)2(PNN)(H)	P(NC[5])2(CCCH)	H(CCCP)	107.2460	0.000	1	107.2460	0.000	1	107.2460	0.000	1	107.2460	0.000	1	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	2:4:4:	4:	C-4:C-4:P-3:H-1:	N-2:C-4:C-4:	C-4:	C(CH3)2(PCN)(H)	P(NC[6])(CCCH)2	H(CCCP)	C(CH3)2(PCN)(H)	P(NC[6])(CCCH)2	H(CCCP)	107.7380	1.744	2	107.7380	3.041	2	107.7380	3.041	2	107.7430	1.753	6	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	2:4:4:	4:	C-4:C-4:P-3:H-1:	O-2:C-4:C-4:	C-4:	C(CH3)2(PCO)(H)	P(OC[5x3,5x5,20x6])(CCCH)2	H(CCCP)	C(CH3)2(PCO)(H)	P(OC[5x3,5x5,20x6])(CCCH)2	H(CCCP)	107.7455	1.381	4	107.7455	1.907	4	107.7455	1.907	4	107.7430	1.753	6	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	3:4:4:	4:	C-4:C-4:P-3:H-1:	C-3:C-4:C-4:	C-4:	C(CH3)2(PCC)(H)	P(CC[5]H)(CCCH)2	H(CCCP)	C(CH3)2(PCC)(H)	P(CC[5]H)(CCCH)2	H(CCCP)	107.1008	1.453	8	107.1008	2.111	8	107.1008	2.111	8	107.1372	7.494	22	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	3:4:4:	4:	C-4:C-4:P-3:H-1:	N-3:C-4:C-4:	C-4:	C(CH3)2(PCN)(H)	P(NC[5]Co)(CCCH)2	H(CCCP)	C(CH3)2(PCN)(H)	P(NC[5]Co)(CCCH)2	H(CCCP)	107.7495	2.535	2	107.7495	6.426	2	107.1580	10.968	14	107.1372	7.494	22	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	3:4:4:	4:	C-4:C-4:P-3:H-1:	N-3:C-4:C-4:	C-4:	C(CH3)2(PCN)(H)	P(NC[5]Fe)(CCCH)2	H(CCCP)	C(CH3)2(PCN)(H)	P(NC[5]Fe)(CCCH)2	H(CCCP)	108.2830	1.329	4	108.2830	1.766	4	107.1580	10.968	14	107.1372	7.494	22	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	3:4:4:	4:	C-4:C-4:P-3:H-1:	N-3:C-4:C-4:	C-4:	C(CH3)2(PCN)(H)	P(NC[6a]H)(CCCH)2	H(CCCP)	C(CH3)2(PCN)(H)	P(NC[6a]H)(CCCH)2	H(CCCP)	108.0658	1.726	4	108.0658	2.978	4	107.1580	10.968	14	107.1372	7.494	22	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	3:4:4:	4:	C-4:C-4:P-3:H-1:	N-3:C-4:C-4:	C-4:	C(CH3)2(PCN)(H)	P(NC[6a]N)(CCCH)2	H(CCCP)	C(CH3)2(PCN)(H)	P(NC[6a]N)(CCCH)2	H(CCCP)	104.8295	5.513	4	104.8295	30.394	4	107.1580	10.968	14	107.1372	7.494	22	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	4:3:1:	4:	Si-4:Si-4:P-3:H-1:	C-4:C-3:H-1:	C-4:	C(SiC3)2(PCH)(H)	P(CSi2H)(CAlC)(H)	H(CSi2P)	C(SiC3)2(PCH)(H)	P(CSi2H)(CAlC)(H)	H(CSi2P)	106.3680	0.000	1	106.3680	0.000	1	106.3680	0.000	1	106.3680	0.000	1	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	4:3:2:	4:	Si-4:Si-4:P-3:H-1:	C-4:C-3:S-2:	C-4:	C(SiC3)2(PCS)(H)	P(CSi2H)(CNN)(SW)	H(CSi2P)	C(SiC3)2(PCS)(H)	P(CSi2H)(CNN)(SW)	H(CSi2P)	107.1890	0.000	1	107.1890	0.000	1	107.1890	0.000	1	107.1890	0.000	1	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	4:3:3:	4:	Si-4:Si-4:P-3:H-1:	C-4:C-3:C-3:	C-4:	C(SiC3)2(PCC)(H)	P(CSi2H)(CAlC)(CCS)	H(CSi2P)	C(SiC3)2(PCC)(H)	P(CSi2H)(CAlC)(CCS)	H(CSi2P)	101.3360	0.000	1	101.3360	0.000	1	101.8675	0.565	2	101.8675	0.565	2	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	4:3:3:	4:	Si-4:Si-4:P-3:H-1:	C-4:C-3:C-3:	C-4:	C(SiC3)2(PCC)(H)	P(CSi2H)(CAlC)(CNO)	H(CSi2P)	C(SiC3)2(PCC)(H)	P(CSi2H)(CAlC)(CNO)	H(CSi2P)	102.3990	0.000	1	102.3990	0.000	1	101.8675	0.565	2	101.8675	0.565	2	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	4:4:1:	4:	Si-4:Si-4:P-3:H-1:	C-4:C-4:Cl-1:	C-4:	C(SiC3)2(PClC)(H)	P(CSi2H)2(Cl)	H(CSi2P)	C(SiC3)2(PClC)(H)	P(CSi2H)2(Cl)	H(CSi2P)	105.1640	3.041	2	105.1640	9.245	2	105.1640	9.245	2	105.1640	9.245	2	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	4:4:2:	4:	C-4:C-4:P-3:H-1:	C-4:C-4:N-2:	C-4:	C(CH3)2(PCN)(H)	P(CCCH)2(NC)	H(CCCP)	C(CH3)2(PCN)(H)	P(CCCH)2(NC)	H(CCCP)	107.7385	1.022	8	107.7385	1.045	8	107.5101	1.146	18	107.5101	1.146	18	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	4:4:2:	4:	C-4:C-4:P-3:H-1:	C-4:C-4:N-2:	C-4:	C(CH3)2(PCN)(H)	P(CCCH)2(NP)	H(CCCP)	C(CH3)2(PCN)(H)	P(CCCH)2(NP)	H(CCCP)	107.3274	1.126	10	107.3274	1.269	10	107.5101	1.146	18	107.5101	1.146	18	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	4:4:3:	4:	C-4:C-4:P-3:H-1:	C-4:C-4:C-3:	C-4:	C(CH3)2(PCC)(H)	P(CCCH)2(CCW)	H(CCCP)	C(CH3)2(PCC)(H)	P(CCCH)2(CCW)	H(CCCP)	107.7852	2.738	4	107.7852	7.499	4	107.7852	7.499	4	106.5898	6.835	32	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	4:4:3:	4:	C-4:C-4:P-3:H-1:	C-4:C-4:N-3:	C-4:	C(CH3)2(PCN)(H)	P(CCCH)2(NCH)	H(CCCP)	C(CH3)2(PCN)(H)	P(CCCH)2(NCH)	H(CCCP)	107.9730	0.564	2	107.9730	0.318	2	107.6521	1.992	12	106.5898	6.835	32	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	4:4:3:	4:	C-4:C-4:P-3:H-1:	C-4:C-4:N-3:	C-4:	C(CH3)2(PCN)(H)	P(CCCH)2(NHP)	H(CCCP)	C(CH3)2(PCN)(H)	P(CCCH)2(NHP)	H(CCCP)	107.6369	1.397	8	107.6369	1.951	8	107.6521	1.992	12	106.5898	6.835	32	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	4:4:3:	4:	C-4:C-4:P-3:H-1:	C-4:C-4:N-3:	C-4:	C(CH3)2(PCN)(H)	P(CCCH)2(NRuC)	H(CCCP)	C(CH3)2(PCN)(H)	P(CCCH)2(NRuC)	H(CCCP)	107.3920	2.756	2	107.3920	7.597	2	107.6521	1.992	12	106.5898	6.835	32	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	4:4:3:	4:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:	C-4:	C(CH3)2(PCP)(H)	P(CCCH)2(PMoP)	H(CCCP)	C(CH3)2(PCP)(H)	P(CCCH)2(PMoP)	H(CCCP)	106.8690	1.825	4	106.8690	3.332	4	107.2454	2.573	8	106.5898	6.835	32	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	4:4:3:	4:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:	C-4:	C(CH3)2(PCP)(H)	P(CCCH)2(PPW)	H(CCCP)	C(CH3)2(PCP)(H)	P(CCCH)2(PPW)	H(CCCP)	107.6217	1.514	4	107.6217	2.293	4	107.2454	2.573	8	106.5898	6.835	32	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	4:4:3:	4:	Si-4:Si-4:P-3:H-1:	C-4:C-4:P-3:	C-4:	C(SiC3)2(PCP)(H)	P(CSi2H)2(PCC)	H(CSi2P)	C(SiC3)2(PCP)(H)	P(CSi2H)2(PCC)	H(CSi2P)	103.7430	2.974	8	103.7430	8.846	8	103.7430	8.846	8	106.5898	6.835	32	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	4:4:4:	4:	C-4:C-4:P-3:H-1:	C-4:C-4:C-4:	C-4:	C(CH3)2(PCC)(H)	P(CBHH)(CCCH)2	H(CCCP)	C(CH3)2(PCC)(H)	P(CBHH)(CCCH)2	H(CCCP)	105.8913	2.059	14	105.8913	4.239	14	106.1787	5.787	118	106.1787	5.787	118	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	4:4:4:	4:	C-4:C-4:P-3:H-1:	C-4:C-4:C-4:	C-4:	C(CH3)2(PCC)(H)	P(CCCH)2(CCHH)	H(CCCP)	C(CH3)2(PCC)(H)	P(CCCH)2(CCHH)	H(CCCP)	107.4107	1.435	34	107.4107	2.059	34	106.1787	5.787	118	106.1787	5.787	118	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	4:4:4:	4:	C-4:C-4:P-3:H-1:	C-4:C-4:C-4:	C-4:	C(CH3)2(PCC)(H)	P(CCCH)2(CHHN)	H(CCCP)	C(CH3)2(PCC)(H)	P(CCCH)2(CHHN)	H(CCCP)	106.7518	1.767	4	106.7518	3.124	4	106.1787	5.787	118	106.1787	5.787	118	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	4:4:4:	4:	C-4:C-4:P-3:H-1:	C-4:C-4:C-4:	C-4:	C(CH3)2(PCC)(H)	P(CCCH)2(CHHP)	H(CCCP)	C(CH3)2(PCC)(H)	P(CCCH)2(CHHP)	H(CCCP)	107.7805	1.872	2	107.7805	3.503	2	106.1787	5.787	118	106.1787	5.787	118	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	4:4:4:	4:	C-4:C-4:P-3:H-1:	C-4:C-4:C-4:	C-4:	C(CH3)2(PCC)(H)	P(CCCH)3	H(CCCP)	C(CH3)2(PCC)(H)	P(CCCH)3	H(CCCP)	104.2979	2.525	39	104.2979	6.375	39	106.1787	5.787	118	106.1787	5.787	118	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	4:4:4:	4:	C-4:C-4:P-3:H-1:	C-4:C-4:C-4:	C-4:	C(CH3)2(PCC)(H)	P(CC[3x6]HH)(CCCH)2	H(CCCP)	C(CH3)2(PCC)(H)	P(CC[3x6]HH)(CCCH)2	H(CCCP)	107.6535	1.790	2	107.6535	3.203	2	106.1787	5.787	118	106.1787	5.787	118	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	4:4:4:	4:	C-4:C-4:P-3:H-1:	C-4:C-4:C-4:	C-4:	C(CH3)2(PCC)(H)	P(CC[5]HH)(CCCH)2	H(CCCP)	C(CH3)2(PCC)(H)	P(CC[5]HH)(CCCH)2	H(CCCP)	107.4202	1.138	4	107.4202	1.295	4	106.1787	5.787	118	106.1787	5.787	118	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	4:4:4:	4:	C-4:C-4:P-3:H-1:	C-4:C-4:C-4:	C-4:	C(CH3)2(PCC)(H)	P(CC[5a]HH)(CCCH)2	H(CCCP)	C(CH3)2(PCC)(H)	P(CC[5a]HH)(CCCH)2	H(CCCP)	106.9695	1.370	4	106.9695	1.876	4	106.1787	5.787	118	106.1787	5.787	118	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	4:4:4:	4:	C-4:C-4:P-3:H-1:	C-4:C-4:C-4:	C-4:	C(CH3)2(PCC)(H)	P(CC[6]HP)(CCCH)2	H(CCCP)	C(CH3)2(PCC)(H)	P(CC[6]HP)(CCCH)2	H(CCCP)	107.9352	1.914	4	107.9352	3.662	4	106.1787	5.787	118	106.1787	5.787	118	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	4:4:4:	4:	C-4:C-4:P-3:H-1:	C-4:C-4:C-4:	C-4:	C(CH3)2(PCC)(H)	P(CC[6a]HH)(CCCH)2	H(CCCP)	C(CH3)2(PCC)(H)	P(CC[6a]HH)(CCCH)2	H(CCCP)	105.8925	3.673	2	105.8925	13.494	2	106.1787	5.787	118	106.1787	5.787	118	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	4:4:4:	4:	C-4:C-4:P-3:H-1:	C-4:C-4:C-4:	C-4:	C(CH3)2(PCC)(H)	P(CC[6a]HP)(CCCH)2	H(CCCP)	C(CH3)2(PCC)(H)	P(CC[6a]HP)(CCCH)2	H(CCCP)	106.8635	1.556	4	106.8635	2.423	4	106.1787	5.787	118	106.1787	5.787	118	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	4:4:4:	4:	C-4:C-4:P-3:H-1:	C-4:C-4:C-4:	C-4:	C(CH3)2(PCC)(H)	P(CN[5a]3)(CCCH)2	H(CCCP)	C(CH3)2(PCC)(H)	P(CN[5a]3)(CCCH)2	H(CCCP)	107.7545	2.320	2	107.7545	5.382	2	106.1787	5.787	118	106.1787	5.787	118	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	4:4:4:	4:	C-4:C-4:P-3:H-1:	C-4:C-4:C-4:	C-4:	C(CH3)2(PCC)(H)	P(CN[5a]HH)(CCCH)2	H(CCCP)	C(CH3)2(PCC)(H)	P(CN[5a]HH)(CCCH)2	H(CCCP)	108.3693	1.598	3	108.3693	2.554	3	106.1787	5.787	118	106.1787	5.787	118	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	4:4:3:1:	5:4:4:	4:	C-4:C-4:P-3:H-1:	C-5:C-4:C-4:	C-4:	C(CH3)2(PCC)(H)	P(CHHNU)(CCCH)2	H(CCCP)	C(CH3)2(PCC)(H)	P(CHHNU)(CCCH)2	H(CCCP)	107.1100	1.591	6	107.1100	2.531	6	107.1100	2.531	6	107.1100	2.531	6	108.3141	3.774	1596	108.3141	3.774	1596
490	945	951	0:SP3_SP-NON_SP3	C	P	H	6:3:1:1:	4:3:3:	4:	C[5x3,5x5,20x6]-6:P-3:H-1:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(PC[6a]2)(H)2	P(CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)2	H(CC[5x3,5x5,20x6]HP)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(PC[6a]2)(H)2	P(CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)2	H(CC[5x3,5x5,20x6]HP)	108.6000	0.007	2	108.6000	0.000	2	108.6000	0.000	2	108.6000	0.000	2	108.3141	3.774	1596	108.3141	3.774	1596
490	945	956	0:SP3_SP2_SP3	C	P	N	3:3:1:1:	3:3:4:	3:4:1:	N-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHN)	N(C[6a]C[6a]2)(CHHP)(H)	C(NC[6a]H)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHN)	N(C[6a]C[6a]2)(CHHP)(H)	116.9280	0.000	1	116.9280	0.000	1	116.9280	0.000	1	116.9280	0.000	1	113.5859	5.202	12	113.5859	5.202	12
490	945	956	0:SP3_SP2_SP3	C	P	N	3:3:1:1:	3:3:4:	3:4:4:	N-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHN)	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHN)	N(C[6a]C[6a]2)(CHHP)2	112.1955	0.726	2	112.1955	0.527	2	112.1955	0.527	2	112.1955	0.527	2	113.5859	5.202	12	113.5859	5.202	12
490	945	956	0:SP3_SP2_SP3	C	P	N	3:3:1:1:	4:4:4:	3:4:4:	N-3:P-3:H-1:H-1:	C-4:C-4:C-4:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(PCC)(H)2	P(CC[6a]HH)(CHHN)2	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PCC)(H)2	P(CC[6a]HH)(CHHN)2	N(C[6a]C[6a]2)(CHHP)2	115.1965	0.156	2	115.1965	0.024	2	115.1965	0.024	2	114.0434	3.167	8	113.5859	5.202	12	113.5859	5.202	12
490	945	956	0:SP3_SP2_SP3	C	P	N	3:3:1:1:	4:4:4:	3:4:4:	N-3:P-3:H-1:H-1:	C[5]-4:C-4:C-4:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(PC[5]C)(H)2	P(C[5]C[5]2Fe)(CHHN)2	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PC[5]C)(H)2	P(C[5]C[5]2Fe)(CHHN)2	N(C[6a]C[6a]2)(CHHP)2	113.6590	1.929	6	113.6590	3.720	6	113.6590	3.720	6	114.0434	3.167	8	113.5859	5.202	12	113.5859	5.202	12
490	945	956	0:SP3_SP2_SP3	C	P	N	3:3:1:1:	4:4:4:	4:4:4:	N-3:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:C-4:C-4:	C(NCC)(PCC)(H)2	P(CHHN)3	N(CCHH)2(CHHP)	C(NCC)(PCC)(H)2	P(CHHN)3	N(CCHH)2(CHHP)	109.3650	0.000	1	109.3650	0.000	1	109.3650	0.000	1	109.3650	0.000	1	113.5859	5.202	12	113.5859	5.202	12
490	945	956	0:SP3_SP3_SP3	C	P	N	3:3:1:1:	3:3:4:	3:4:1:	N-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHN)	N(C[6a]C[6a,6a]C[6a])(CHHP)(H)	C(NC[6a]H)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHN)	N(C[6a]C[6a,6a]C[6a])(CHHP)(H)	108.6640	0.000	1	108.6640	0.000	1	108.6640	0.000	1	108.6640	0.000	1	114.5415	18.302	25	114.5415	18.302	25
490	945	956	0:SP3_SP3_SP3	C	P	N	3:3:1:1:	3:3:4:	3:4:4:	N-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHN)	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHN)	N(C[6a]C[6a]2)(CHHP)2	111.4130	0.049	2	111.4130	0.002	2	111.4130	0.002	2	111.4130	0.002	2	114.5415	18.302	25	114.5415	18.302	25
490	945	956	0:SP3_SP3_SP3	C	P	N	3:3:1:1:	3:3:4:	4:4:4:	P-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(PC[6a]2)(NCC)(H)2	P(C[6a]C[6a]2)2(CHHN)	N(CHHP)3	C(PC[6a]2)(NCC)(H)2	P(C[6a]C[6a]2)2(CHHN)	N(CHHP)3	114.0190	0.000	1	114.0190	0.000	1	114.0190	0.000	1	114.0190	0.000	1	114.5415	18.302	25	114.5415	18.302	25
490	945	956	0:SP3_SP3_SP3	C	P	N	3:3:1:1:	3:4:4:	4:4:4:	P-3:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:C-4:C-4:	C(PC[6a]C)(NCC)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHN)	N(CCCH)(CHHP)2	C(PC[6a]C)(NCC)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHN)	N(CCCH)(CHHP)2	114.7713	3.388	6	114.7713	11.476	6	114.2739	16.457	18	114.2739	16.457	18	114.5415	18.302	25	114.5415	18.302	25
490	945	956	0:SP3_SP3_SP3	C	P	N	3:3:1:1:	3:4:4:	4:4:4:	P-3:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:C-4:C-4:	C(PC[6a]C)(NCC)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHN)	N(CC[6a]CH)(CHHP)2	C(PC[6a]C)(NCC)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHN)	N(CC[6a]CH)(CHHP)2	108.8365	0.275	2	108.8365	0.076	2	114.2739	16.457	18	114.2739	16.457	18	114.5415	18.302	25	114.5415	18.302	25
490	945	956	0:SP3_SP3_SP3	C	P	N	3:3:1:1:	3:4:4:	4:4:4:	P-3:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:C-4:C-4:	C(PC[6a]C)(NCC)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHN)	N(CC[6a]HH)(CHHP)2	C(PC[6a]C)(NCC)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHN)	N(CC[6a]HH)(CHHP)2	109.0480	0.311	2	109.0480	0.097	2	114.2739	16.457	18	114.2739	16.457	18	114.5415	18.302	25	114.5415	18.302	25
490	945	956	0:SP3_SP3_SP3	C	P	N	3:3:1:1:	3:4:4:	4:4:4:	P-3:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:C-4:C-4:	C(PC[6a]C)(NCC)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHN)	N(CHHP)2(CC3)	C(PC[6a]C)(NCC)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHN)	N(CHHP)2(CC3)	115.9878	4.457	4	115.9878	19.869	4	114.2739	16.457	18	114.2739	16.457	18	114.5415	18.302	25	114.5415	18.302	25
490	945	956	0:SP3_SP3_SP3	C	P	N	3:3:1:1:	3:4:4:	4:4:4:	P-3:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:C-4:C-4:	C(PC[6a]C)(NCC)(H)2	P(C[6a]C[6a]2)(CHHN)2	N(CC[6a]CH)(CHHP)2	C(PC[6a]C)(NCC)(H)2	P(C[6a]C[6a]2)(CHHN)2	N(CC[6a]CH)(CHHP)2	117.1457	0.939	4	117.1457	0.881	4	114.2739	16.457	18	114.2739	16.457	18	114.5415	18.302	25	114.5415	18.302	25
490	945	956	0:SP3_SP3_SP3	C	P	N	3:3:1:1:	4:4:4:	4:4:4:	N-3:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:C-4:C-4:	C(NCC)(PCC)(H)2	P(CHHN)3	N(CCHH)2(CHHP)	C(NCC)(PCC)(H)2	P(CHHN)3	N(CCHH)2(CHHP)	120.8810	0.666	2	120.8810	0.444	2	120.8810	0.444	2	120.3657	1.019	3	114.5415	18.302	25	114.5415	18.302	25
490	945	956	0:SP3_SP3_SP3	C	P	N	3:3:1:1:	4:4:4:	4:4:4:	P-3:N-3:H-1:H-1:	C[6]-4:C-4:C-4:	C-4:C-4:C-4:	C(PC[6]C)(NCC)(H)2	P(C[6]C[6]2H)(CCHH)(CHHN)	N(CC[6a]2H)(CHHP)2	C(PC[6]C)(NCC)(H)2	P(C[6]C[6]2H)(CCHH)(CHHN)	N(CC[6a]2H)(CHHP)2	119.3350	0.000	1	119.3350	0.000	1	119.3350	0.000	1	120.3657	1.019	3	114.5415	18.302	25	114.5415	18.302	25
490	945	983	0:SP3_SP1_SP3	C	P	C	3:3:2:1:	3:3:4:	4:1:	P-3:P-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(PC[6a]2)2(CN)(H)	P(C[6a]C[6a]2)2(CCHP)	C(CHPP)(N)	C(PC[6a]2)2(CN)(H)	P(C[6a]C[6a]2)2(CCHP)	C(CHPP)(N)	110.4120	4.605	4	110.4120	21.204	4	110.4120	21.204	4	110.4120	21.204	4	110.4120	21.204	4	110.4120	21.204	4
490	945	992	0:SP3_SP3_SP3	C	P	P	4:3:1:1:	3:3:4:	3:3:3:4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2C[5])(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2C[5])(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(CHHP)	116.2210	0.000	1	116.2210	0.000	1	116.2210	0.000	1	113.8593	15.262	3	113.3423	7.924	11	113.3423	7.924	11
490	945	992	0:SP3_SP3_SP3	C	P	P	4:3:1:1:	3:3:4:	3:3:3:4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:C-4:	C(PC[6a]2N)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	P(C[6a]C[6a]2)2(NC[6a]H)(CHHP)	C(PC[6a]2N)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	P(C[6a]C[6a]2)2(NC[6a]H)(CHHP)	116.0070	0.000	1	116.0070	0.000	1	116.0070	0.000	1	113.8593	15.262	3	113.3423	7.924	11	113.3423	7.924	11
490	945	992	0:SP3_SP3_SP3	C	P	P	4:3:1:1:	3:3:4:	3:3:3:4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:P-3:C-4:	C(PC[6a]2P)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	P(C[6a]C[6a]2)2(PC[6a]2)(CHHP)	C(PC[6a]2P)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	P(C[6a]C[6a]2)2(PC[6a]2)(CHHP)	109.3500	0.000	1	109.3500	0.000	1	109.3500	0.000	1	113.8593	15.262	3	113.3423	7.924	11	113.3423	7.924	11
490	945	992	0:SP3_SP3_SP3	C	P	P	4:3:1:1:	3:3:4:	3:3:4:3:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:P-3:	C(PC[6a]2P)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	P(C[6a]C[6a]2)2(CHHP)(PCC)	C(PC[6a]2P)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	P(C[6a]C[6a]2)2(CHHP)(PCC)	111.8245	1.732	2	111.8245	2.999	2	111.8245	2.999	2	111.8245	2.999	2	113.3423	7.924	11	113.3423	7.924	11
490	945	992	0:SP3_SP3_SP3	C	P	P	4:3:1:1:	3:3:4:	3:3:4:4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(PC[6a]2B)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	P(C[6a]C[6a]2)2(CHHP)(BH3)	C(PC[6a]2B)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	P(C[6a]C[6a]2)2(CHHP)(BH3)	111.5925	0.111	2	111.5925	0.012	2	111.5925	0.012	2	111.5925	0.012	2	113.3423	7.924	11	113.3423	7.924	11
490	945	992	0:SP3_SP3_SP3	C	P	P	4:3:1:1:	3:3:4:	4:3:3:4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2C[5])(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	P(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2C[5])(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CHHP)	P(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(CHHP)	110.7040	0.000	1	110.7040	0.000	1	110.7040	0.000	1	110.7040	0.000	1	113.3423	7.924	11	113.3423	7.924	11
490	945	992	0:SP3_SP3_SP3	C	P	P	4:3:1:1:	4:4:4:	3:3:4:4:	P-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(PC[6a]2B)(PCC)(H)2	P(CCCH)2(CHHP)	P(C[6a]C[6a]2)2(CHHP)(BH3)	C(PC[6a]2B)(PCC)(H)2	P(CCCH)2(CHHP)	P(C[6a]C[6a]2)2(CHHP)(BH3)	115.0080	0.000	1	115.0080	0.000	1	115.0080	0.000	1	115.0080	0.000	1	113.3423	7.924	11	113.3423	7.924	11
490	945	992	0:SP3_SP3_SP3	C	P	P	4:3:1:1:	4:4:4:	4:4:4:4:	P-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C-4:P-4:C-4:C-4:	C(PCCP)(PCC)(H)2	P(CHHP)(CH3)2	P(CHHP)(PCCN)(CH3)2	C(PCCP)(PCC)(H)2	P(CHHP)(CH3)2	P(CHHP)(PCCN)(CH3)2	118.1510	0.000	1	118.1510	0.000	1	118.1510	0.000	1	118.1510	0.000	1	113.3423	7.924	11	113.3423	7.924	11
490	945	992	0:SP3_SP3_SP3	C	P	P	4:3:1:1:	4:4:4:	6:4:4:4:	P-4:P-3:H-1:H-1:	C-4:C-4:C-4:	Si-6:C-4:C-4:C-4:	C(PSiCC)(PCC)(H)2	P(CHHP)(CH3)2	P(SiCl4P)(CHHP)(CH3)2	C(PSiCC)(PCC)(H)2	P(CHHP)(CH3)2	P(SiCl4P)(CHHP)(CH3)2	114.4900	0.000	1	114.4900	0.000	1	114.4900	0.000	1	114.4900	0.000	1	113.3423	7.924	11	113.3423	7.924	11
490	950	951	0:SP3_SP-NON_SPD5	C	P	H	3:5:1:1:	3:3:4:1:1:	4:	C[6a]-3:P-5:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:F-1:F-1:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2FF)(H)2	P(C[6a]C[6a]2)2(CC[6a]HH)(F)2	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]2FF)(H)2	P(C[6a]C[6a]2)2(CC[6a]HH)(F)2	H(CC[6a]HP)	108.4585	0.067	2	108.4585	0.005	2	108.4585	0.005	2	108.4585	0.005	2	108.4585	0.005	2	108.4585	0.005	2
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	1:1:1:1:	4:	4:	Br-1:Br-1:H-1:H-1:	C-4:	C-4:	C(Br)2(H)2	H(CBr2H)	H(CBr2H)	C(Br)2(H)2	H(CBr2H)	H(CBr2H)	107.8010	0.000	1	107.8010	0.000	1	107.8010	0.000	1	108.2201	4.450	7124	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	1:1:1:1:	4:	4:	Br-1:H-1:H-1:H-1:	C-4:	C-4:	C(Br)(H)3	H(CBrHH)	H(CBrHH)	C(Br)(H)3	H(CBrHH)	H(CBrHH)	109.4657	0.041	3	109.4657	0.002	3	109.4657	0.002	3	108.2201	4.450	7124	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	1:1:1:1:	4:	4:	C-1:H-1:H-1:H-1:	C-4:	C-4:	C(C)(H)3	H(CCHH)	H(CCHH)	C(C)(H)3	H(CCHH)	H(CCHH)	109.4633	1.638	23	109.4633	2.682	23	109.4633	2.682	23	108.2201	4.450	7124	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	1:1:1:1:	4:	4:	Cl-1:Cl-1:H-1:H-1:	C-4:	C-4:	C(Cl)2(H)2	H(CCl2H)	H(CCl2H)	C(Cl)2(H)2	H(CCl2H)	H(CCl2H)	108.0909	2.057	6401	108.0909	4.229	6401	108.0909	4.229	6401	108.2201	4.450	7124	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	1:1:1:1:	4:	4:	Cl-1:H-1:H-1:H-1:	C-4:	C-4:	C(Cl)(H)3	H(CClHH)	H(CClHH)	C(Cl)(H)3	H(CClHH)	H(CClHH)	109.4628	0.087	6	109.4628	0.008	6	109.4628	0.008	6	108.2201	4.450	7124	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	1:1:1:1:	4:	4:	Cl-1:H-1:H-1:I-1:	C-4:	C-4:	C(Cl)(H)2(I)	H(CClHI)	H(CClHI)	C(Cl)(H)2(I)	H(CClHI)	H(CClHI)	110.3880	6.594	5	110.3880	43.482	5	110.3880	43.482	5	108.2201	4.450	7124	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	1:1:1:1:	4:	4:	H-1:H-1:H-1:H-1:	C-4:	C-4:	C(H)4	H(CH3)	H(CH3)	C(H)4	H(CH3)	H(CH3)	109.4707	0.302	12	109.4707	0.091	12	109.4707	0.091	12	108.2201	4.450	7124	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	1:1:1:1:	4:	4:	H-1:H-1:H-1:I-1:	C-4:	C-4:	C(H)3(I)	H(CHHI)	H(CHHI)	C(H)3(I)	H(CHHI)	H(CHHI)	109.4919	0.152	35	109.4919	0.023	35	109.4919	0.023	35	108.2201	4.450	7124	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	1:1:1:1:	4:	4:	H-1:H-1:H-1:N-1:	C-4:	C-4:	C(H)3(N)	H(CHHN)	H(CHHN)	C(H)3(N)	H(CHHN)	H(CHHN)	109.4664	0.075	12	109.4664	0.006	12	109.4664	0.006	12	108.2201	4.450	7124	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	1:1:1:1:	4:	4:	H-1:H-1:H-1:O-1:	C-4:	C-4:	C(H)3(O)	H(CHHO)	H(CHHO)	C(H)3(O)	H(CHHO)	H(CHHO)	109.3059	2.083	611	109.3059	4.340	611	109.3059	4.340	611	108.2201	4.450	7124	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	1:1:1:1:	4:	4:	H-1:H-1:H-1:S-1:	C-4:	C-4:	C(H)3(S)	H(CHHS)	H(CHHS)	C(H)3(S)	H(CHHS)	H(CHHS)	109.5252	0.201	6	109.5252	0.040	6	109.5252	0.040	6	108.2201	4.450	7124	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	1:1:1:1:	4:	4:	H-1:H-1:I-1:I-1:	C-4:	C-4:	C(H)2(I)2	H(CHII)	H(CHII)	C(H)2(I)2	H(CHII)	H(CHII)	111.6739	8.899	9	111.6739	79.188	9	111.6739	79.188	9	108.2201	4.450	7124	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	As-2:H-1:H-1:H-1:	C-4:	C-4:	C(AsC[6a])(H)3	H(CAsHH)	H(CAsHH)	C(AsC[6a])(H)3	H(CAsHH)	H(CAsHH)	109.5207	0.035	3	109.5207	0.001	3	109.5207	0.001	3	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	C-2:Br-1:H-1:H-1:	C-4:	C-4:	C(CC)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CC)(Br)(H)2	H(CBrCH)	H(CBrCH)	107.8980	0.033	2	107.8980	0.001	2	107.8980	0.001	2	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	C-2:Cl-1:H-1:H-1:	C-4:	C-4:	C(CN)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CN)(Cl)(H)2	H(CClCH)	H(CClCH)	108.0180	0.000	1	108.0180	0.000	1	108.0180	0.000	1	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	C-2:H-1:H-1:H-1:	C-4:	C-4:	C(CC)(H)3	H(CCHH)	H(CCHH)	C(CC)(H)3	H(CCHH)	H(CCHH)	108.9519	3.024	326	108.9519	9.145	326	109.4119	2.121	17661	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	C-2:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a])(H)3	H(CCHH)	H(CCHH)	C(CC[6a])(H)3	H(CCHH)	H(CCHH)	109.3377	0.202	3	109.3377	0.041	3	109.4119	2.121	17661	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	C-2:H-1:H-1:H-1:	C-4:	C-4:	C(CH)(H)3	H(CCHH)	H(CCHH)	C(CH)(H)3	H(CCHH)	H(CCHH)	109.7837	1.048	6	109.7837	1.098	6	109.4119	2.121	17661	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	C-2:H-1:H-1:H-1:	C-4:	C-4:	C(CN)(H)3	H(CCHH)	H(CCHH)	C(CN)(H)3	H(CCHH)	H(CCHH)	109.4203	1.409	17286	109.4203	1.985	17286	109.4119	2.121	17661	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	C-2:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5])(H)3	H(CCHH)	H(CCHH)	C(CN[5])(H)3	H(CCHH)	H(CCHH)	109.4557	0.045	3	109.4557	0.002	3	109.4119	2.121	17661	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	C-2:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5a])(H)3	H(CCHH)	H(CCHH)	C(CN[5a])(H)3	H(CCHH)	H(CCHH)	109.4514	0.036	5	109.4514	0.001	5	109.4119	2.121	17661	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	C-2:H-1:H-1:H-1:	C-4:	C-4:	C(CO)(H)3	H(CCHH)	H(CCHH)	C(CO)(H)3	H(CCHH)	H(CCHH)	109.5034	2.317	19	109.5034	5.369	19	109.4119	2.121	17661	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	C-2:H-1:H-1:H-1:	C-4:	C-4:	C(CP)(H)3	H(CCHH)	H(CCHH)	C(CP)(H)3	H(CCHH)	H(CCHH)	109.3940	0.052	2	109.3940	0.003	2	109.4119	2.121	17661	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	C-2:H-1:H-1:H-1:	C-4:	C-4:	C(CRe)(H)3	H(CCHH)	H(CCHH)	C(CRe)(H)3	H(CCHH)	H(CCHH)	109.4680	0.099	3	109.4680	0.010	3	109.4119	2.121	17661	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	C-2:H-1:H-1:H-1:	C-4:	C-4:	C(CSi)(H)3	H(CCHH)	H(CCHH)	C(CSi)(H)3	H(CCHH)	H(CCHH)	109.4487	0.030	3	109.4487	0.001	3	109.4119	2.121	17661	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	C-2:H-1:H-1:H-1:	C-4:	C-4:	C(CSn)(H)3	H(CCHH)	H(CCHH)	C(CSn)(H)3	H(CCHH)	H(CCHH)	109.4852	0.066	5	109.4852	0.004	5	109.4119	2.121	17661	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	C-2:H-1:H-1:O-1:	C-4:	C-4:	C(CC)(H)2(O)	H(CCHO)	H(CCHO)	C(CC)(H)2(O)	H(CCHO)	H(CCHO)	108.4900	3.963	4	108.4900	15.703	4	108.4900	15.703	4	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	Cl-2:Cl-1:H-1:H-1:	C-4:	C-4:	C(ClCl)(Cl)(H)2	H(CCl2H)	H(CCl2H)	C(ClCl)(Cl)(H)2	H(CCl2H)	H(CCl2H)	109.4120	0.000	1	109.4120	0.000	1	108.4285	1.986	4	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	Cl-2:Cl-1:H-1:H-1:	C-4:	C-4:	C(ClIr)(Cl)(H)2	H(CCl2H)	H(CCl2H)	C(ClIr)(Cl)(H)2	H(CCl2H)	H(CCl2H)	109.6720	0.000	1	109.6720	0.000	1	108.4285	1.986	4	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	Cl-2:Cl-1:H-1:H-1:	C-4:	C-4:	C(ClLi)(Cl)(H)2	H(CCl2H)	H(CCl2H)	C(ClLi)(Cl)(H)2	H(CCl2H)	H(CCl2H)	108.0100	0.000	1	108.0100	0.000	1	108.4285	1.986	4	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	Cl-2:Cl-1:H-1:H-1:	C-4:	C-4:	C(ClRu)(Cl)(H)2	H(CCl2H)	H(CCl2H)	C(ClRu)(Cl)(H)2	H(CCl2H)	H(CCl2H)	106.6200	0.000	1	106.6200	0.000	1	108.4285	1.986	4	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	In-2:H-1:H-1:H-1:	C-4:	C-4:	C(InC)(H)3	H(CInHH)	H(CInHH)	C(InC)(H)3	H(CInHH)	H(CInHH)	109.4825	0.062	4	109.4825	0.004	4	109.4825	0.004	4	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	N-2:H-1:H-1:H-1:	C-4:	C-4:	C(NC)(H)3	H(CHHN)	H(CHHN)	C(NC)(H)3	H(CHHN)	H(CHHN)	109.4203	0.572	360	109.4203	0.328	360	109.3741	0.956	418	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	N-2:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5])(H)3	H(CHHN)	H(CHHN)	C(NC[5])(H)3	H(CHHN)	H(CHHN)	109.5185	0.016	2	109.5185	0.000	2	109.3741	0.956	418	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	N-2:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5a])(H)3	H(CHHN)	H(CHHN)	C(NC[5a])(H)3	H(CHHN)	H(CHHN)	109.4737	0.066	3	109.4737	0.004	3	109.3741	0.956	418	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	N-2:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a])(H)3	H(CHHN)	H(CHHN)	C(NC[6a])(H)3	H(CHHN)	H(CHHN)	109.4751	0.062	25	109.4751	0.004	25	109.3741	0.956	418	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	N-2:H-1:H-1:H-1:	C-4:	C-4:	C(NMo)(H)3	H(CHHN)	H(CHHN)	C(NMo)(H)3	H(CHHN)	H(CHHN)	109.4867	0.064	7	109.4867	0.004	7	109.3741	0.956	418	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	N-2:H-1:H-1:H-1:	C-4:	C-4:	C(NN)(H)3	H(CHHN)	H(CHHN)	C(NN)(H)3	H(CHHN)	H(CHHN)	109.4387	0.029	3	109.4387	0.001	3	109.3741	0.956	418	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	N-2:H-1:H-1:H-1:	C-4:	C-4:	C(NP)(H)3	H(CHHN)	H(CHHN)	C(NP)(H)3	H(CHHN)	H(CHHN)	109.4923	0.021	3	109.4923	0.000	3	109.3741	0.956	418	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	N-2:H-1:H-1:H-1:	C-4:	C-4:	C(NS)(H)3	H(CHHN)	H(CHHN)	C(NS)(H)3	H(CHHN)	H(CHHN)	107.9695	4.227	15	107.9695	17.867	15	109.3741	0.956	418	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:C-1:H-1:H-1:	C-4:	C-4:	C(OC)(C)(H)2	H(CCHO)	H(CCHO)	C(OC)(C)(H)2	H(CCHO)	H(CCHO)	108.8555	1.289	2	108.8555	1.662	2	108.3970	1.461	3	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:C-1:H-1:H-1:	C-4:	C-4:	C(OH)(C)(H)2	H(CCHO)	H(CCHO)	C(OH)(C)(H)2	H(CCHO)	H(CCHO)	107.4800	0.000	1	107.4800	0.000	1	108.3970	1.461	3	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:F-1:H-1:H-1:	C-4:	C-4:	C(OC)(F)(H)2	H(CFHO)	H(CFHO)	C(OC)(F)(H)2	H(CFHO)	H(CFHO)	108.1410	0.000	1	108.1410	0.000	1	108.1410	0.000	1	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OAl)(H)3	H(CHHO)	H(CHHO)	C(OAl)(H)3	H(CHHO)	H(CHHO)	109.4763	0.053	6	109.4763	0.003	6	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OB)(H)3	H(CHHO)	H(CHHO)	C(OB)(H)3	H(CHHO)	H(CHHO)	109.4625	0.175	55	109.4625	0.031	55	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OB[3,3,5,4x6])(H)3	H(CHHO)	H(CHHO)	C(OB[3,3,5,4x6])(H)3	H(CHHO)	H(CHHO)	109.4753	0.055	4	109.4753	0.003	4	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OB[3])(H)3	H(CHHO)	H(CHHO)	C(OB[3])(H)3	H(CHHO)	H(CHHO)	109.4787	0.048	3	109.4787	0.002	3	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OB[3x3,3x5,12x6])(H)3	H(CHHO)	H(CHHO)	C(OB[3x3,3x5,12x6])(H)3	H(CHHO)	H(CHHO)	109.4673	0.020	6	109.4673	0.000	6	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OB[3x3,5,6])(H)3	H(CHHO)	H(CHHO)	C(OB[3x3,5,6])(H)3	H(CHHO)	H(CHHO)	109.5120	0.000	1	109.5120	0.000	1	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OB[3x6])(H)3	H(CHHO)	H(CHHO)	C(OB[3x6])(H)3	H(CHHO)	H(CHHO)	109.4716	0.048	20	109.4716	0.002	20	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OB[5,6,6])(H)3	H(CHHO)	H(CHHO)	C(OB[5,6,6])(H)3	H(CHHO)	H(CHHO)	109.4800	0.031	3	109.4800	0.001	3	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OB[5])(H)3	H(CHHO)	H(CHHO)	C(OB[5])(H)3	H(CHHO)	H(CHHO)	109.0739	2.551	33	109.0739	6.510	33	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OB[5a])(H)3	H(CHHO)	H(CHHO)	C(OB[5a])(H)3	H(CHHO)	H(CHHO)	109.4858	0.045	13	109.4858	0.002	13	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OB[5x3,3x5,11x6])(H)3	H(CHHO)	H(CHHO)	C(OB[5x3,3x5,11x6])(H)3	H(CHHO)	H(CHHO)	109.4399	0.068	8	109.4399	0.005	8	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OB[5x3,5x5,20x6])(H)3	H(CHHO)	H(CHHO)	C(OB[5x3,5x5,20x6])(H)3	H(CHHO)	H(CHHO)	109.4744	0.052	22	109.4744	0.003	22	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OB[6,6])(H)3	H(CHHO)	H(CHHO)	C(OB[6,6])(H)3	H(CHHO)	H(CHHO)	109.4675	0.033	8	109.4675	0.001	8	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OB[6,6a])(H)3	H(CHHO)	H(CHHO)	C(OB[6,6a])(H)3	H(CHHO)	H(CHHO)	109.4867	0.074	3	109.4867	0.005	3	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OB[6])(H)3	H(CHHO)	H(CHHO)	C(OB[6])(H)3	H(CHHO)	H(CHHO)	109.4642	0.049	58	109.4642	0.002	58	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OB[6a])(H)3	H(CHHO)	H(CHHO)	C(OB[6a])(H)3	H(CHHO)	H(CHHO)	109.1676	0.950	17	109.1676	0.903	17	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OC)(H)3	H(CHHO)	H(CHHO)	C(OC)(H)3	H(CHHO)	H(CHHO)	109.5258	1.728	27827	109.5258	2.985	27827	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OC[3,5,5])(H)3	H(CHHO)	H(CHHO)	C(OC[3,5,5])(H)3	H(CHHO)	H(CHHO)	109.4348	0.058	6	109.4348	0.003	6	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OC[3,5,6])(H)3	H(CHHO)	H(CHHO)	C(OC[3,5,6])(H)3	H(CHHO)	H(CHHO)	107.6747	3.620	3	107.6747	13.106	3	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OC[3,6])(H)3	H(CHHO)	H(CHHO)	C(OC[3,6])(H)3	H(CHHO)	H(CHHO)	109.3567	1.712	24	109.3567	2.930	24	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OC[3])(H)3	H(CHHO)	H(CHHO)	C(OC[3])(H)3	H(CHHO)	H(CHHO)	109.3821	1.486	44	109.3821	2.209	44	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OC[3x5])(H)3	H(CHHO)	H(CHHO)	C(OC[3x5])(H)3	H(CHHO)	H(CHHO)	109.1743	1.674	3	109.1743	2.802	3	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OC[3x6])(H)3	H(CHHO)	H(CHHO)	C(OC[3x6])(H)3	H(CHHO)	H(CHHO)	109.4635	1.660	125	109.4635	2.757	125	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OC[4,4,6])(H)3	H(CHHO)	H(CHHO)	C(OC[4,4,6])(H)3	H(CHHO)	H(CHHO)	109.4687	0.050	9	109.4687	0.002	9	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OC[4,5,6])(H)3	H(CHHO)	H(CHHO)	C(OC[4,5,6])(H)3	H(CHHO)	H(CHHO)	109.4690	0.026	3	109.4690	0.001	3	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OC[4,5])(H)3	H(CHHO)	H(CHHO)	C(OC[4,5])(H)3	H(CHHO)	H(CHHO)	109.1321	3.582	20	109.1321	12.833	20	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OC[4,6])(H)3	H(CHHO)	H(CHHO)	C(OC[4,6])(H)3	H(CHHO)	H(CHHO)	109.4710	0.024	2	109.4710	0.001	2	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OC[4])(H)3	H(CHHO)	H(CHHO)	C(OC[4])(H)3	H(CHHO)	H(CHHO)	109.4208	0.799	56	109.4208	0.638	56	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OC[4a])(H)3	H(CHHO)	H(CHHO)	C(OC[4a])(H)3	H(CHHO)	H(CHHO)	109.4669	0.059	8	109.4669	0.004	8	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OC[5,3x6])(H)3	H(CHHO)	H(CHHO)	C(OC[5,3x6])(H)3	H(CHHO)	H(CHHO)	109.4686	0.051	12	109.4686	0.003	12	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OC[5,5,6,6])(H)3	H(CHHO)	H(CHHO)	C(OC[5,5,6,6])(H)3	H(CHHO)	H(CHHO)	109.4680	0.051	2	109.4680	0.003	2	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OC[5,5,6])(H)3	H(CHHO)	H(CHHO)	C(OC[5,5,6])(H)3	H(CHHO)	H(CHHO)	109.4815	1.739	48	109.4815	3.023	48	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OC[5,5])(H)3	H(CHHO)	H(CHHO)	C(OC[5,5])(H)3	H(CHHO)	H(CHHO)	109.5054	1.671	168	109.5054	2.792	168	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OC[5,6,6])(H)3	H(CHHO)	H(CHHO)	C(OC[5,6,6])(H)3	H(CHHO)	H(CHHO)	109.4724	0.042	40	109.4724	0.002	40	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OC[5,6])(H)3	H(CHHO)	H(CHHO)	C(OC[5,6])(H)3	H(CHHO)	H(CHHO)	109.4165	1.866	174	109.4165	3.484	174	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OC[5])(H)3	H(CHHO)	H(CHHO)	C(OC[5])(H)3	H(CHHO)	H(CHHO)	109.4746	1.060	951	109.4746	1.123	951	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OC[5a])(H)3	H(CHHO)	H(CHHO)	C(OC[5a])(H)3	H(CHHO)	H(CHHO)	109.7406	1.485	286	109.7406	2.204	286	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6,6])(H)3	H(CHHO)	H(CHHO)	C(OC[6,6])(H)3	H(CHHO)	H(CHHO)	109.4397	0.805	296	109.4397	0.648	296	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6])(H)3	H(CHHO)	H(CHHO)	C(OC[6])(H)3	H(CHHO)	H(CHHO)	109.4528	1.677	3739	109.4528	2.813	3739	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6a])(H)3	H(CHHO)	H(CHHO)	C(OC[6a])(H)3	H(CHHO)	H(CHHO)	109.5015	1.247	49519	109.5015	1.554	49519	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OCd)(H)3	H(CHHO)	H(CHHO)	C(OCd)(H)3	H(CHHO)	H(CHHO)	109.4364	0.040	8	109.4364	0.002	8	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OCo)(H)3	H(CHHO)	H(CHHO)	C(OCo)(H)3	H(CHHO)	H(CHHO)	109.4688	0.056	23	109.4688	0.003	23	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OCr)(H)3	H(CHHO)	H(CHHO)	C(OCr)(H)3	H(CHHO)	H(CHHO)	109.4485	0.030	2	109.4485	0.001	2	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OCu)(H)3	H(CHHO)	H(CHHO)	C(OCu)(H)3	H(CHHO)	H(CHHO)	108.3451	4.756	17	108.3451	22.618	17	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(ODy)(H)3	H(CHHO)	H(CHHO)	C(ODy)(H)3	H(CHHO)	H(CHHO)	109.4690	0.024	2	109.4690	0.001	2	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OFe)(H)3	H(CHHO)	H(CHHO)	C(OFe)(H)3	H(CHHO)	H(CHHO)	109.3423	0.469	40	109.3423	0.220	40	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OGa)(H)3	H(CHHO)	H(CHHO)	C(OGa)(H)3	H(CHHO)	H(CHHO)	109.4590	0.034	3	109.4590	0.001	3	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OGa[4x6])(H)3	H(CHHO)	H(CHHO)	C(OGa[4x6])(H)3	H(CHHO)	H(CHHO)	109.4760	0.027	2	109.4760	0.001	2	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OGe[5,3x6])(H)3	H(CHHO)	H(CHHO)	C(OGe[5,3x6])(H)3	H(CHHO)	H(CHHO)	109.4745	0.054	6	109.4745	0.003	6	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OH)(H)3	H(CHHO)	H(CHHO)	C(OH)(H)3	H(CHHO)	H(CHHO)	109.3997	1.455	10966	109.3997	2.116	10966	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OI)(H)3	H(CHHO)	H(CHHO)	C(OI)(H)3	H(CHHO)	H(CHHO)	111.6839	9.619	6	111.6839	92.521	6	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OI[5])(H)3	H(CHHO)	H(CHHO)	C(OI[5])(H)3	H(CHHO)	H(CHHO)	109.4691	0.058	10	109.4691	0.003	10	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OIn)(H)3	H(CHHO)	H(CHHO)	C(OIn)(H)3	H(CHHO)	H(CHHO)	109.4860	0.054	2	109.4860	0.003	2	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OIn[5])(H)3	H(CHHO)	H(CHHO)	C(OIn[5])(H)3	H(CHHO)	H(CHHO)	109.4960	0.061	2	109.4960	0.004	2	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OIr)(H)3	H(CHHO)	H(CHHO)	C(OIr)(H)3	H(CHHO)	H(CHHO)	109.4835	0.042	6	109.4835	0.002	6	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OLi)(H)3	H(CHHO)	H(CHHO)	C(OLi)(H)3	H(CHHO)	H(CHHO)	109.5420	0.081	2	109.5420	0.006	2	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OMg)(H)3	H(CHHO)	H(CHHO)	C(OMg)(H)3	H(CHHO)	H(CHHO)	109.4975	0.058	6	109.4975	0.003	6	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OMn)(H)3	H(CHHO)	H(CHHO)	C(OMn)(H)3	H(CHHO)	H(CHHO)	109.3630	0.712	57	109.3630	0.507	57	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OMo)(H)3	H(CHHO)	H(CHHO)	C(OMo)(H)3	H(CHHO)	H(CHHO)	109.4793	0.061	29	109.4793	0.004	29	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(ON)(H)3	H(CHHO)	H(CHHO)	C(ON)(H)3	H(CHHO)	H(CHHO)	109.4881	0.997	454	109.4881	0.994	454	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(ON[4])(H)3	H(CHHO)	H(CHHO)	C(ON[4])(H)3	H(CHHO)	H(CHHO)	109.4720	0.049	3	109.4720	0.002	3	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(ON[5,6])(H)3	H(CHHO)	H(CHHO)	C(ON[5,6])(H)3	H(CHHO)	H(CHHO)	109.4683	0.038	3	109.4683	0.001	3	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(ON[5])(H)3	H(CHHO)	H(CHHO)	C(ON[5])(H)3	H(CHHO)	H(CHHO)	109.4733	0.576	91	109.4733	0.332	91	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(ON[5a])(H)3	H(CHHO)	H(CHHO)	C(ON[5a])(H)3	H(CHHO)	H(CHHO)	109.4675	0.040	39	109.4675	0.002	39	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(ON[6])(H)3	H(CHHO)	H(CHHO)	C(ON[6])(H)3	H(CHHO)	H(CHHO)	109.5182	1.303	37	109.5182	1.699	37	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(ON[6a])(H)3	H(CHHO)	H(CHHO)	C(ON[6a])(H)3	H(CHHO)	H(CHHO)	109.4745	0.033	34	109.4745	0.001	34	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(ONb[6])(H)3	H(CHHO)	H(CHHO)	C(ONb[6])(H)3	H(CHHO)	H(CHHO)	109.4580	0.039	7	109.4580	0.002	7	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(ONi)(H)3	H(CHHO)	H(CHHO)	C(ONi)(H)3	H(CHHO)	H(CHHO)	109.5357	0.321	74	109.5357	0.103	74	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OO)(H)3	H(CHHO)	H(CHHO)	C(OO)(H)3	H(CHHO)	H(CHHO)	109.4649	0.070	15	109.4649	0.005	15	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OOs)(H)3	H(CHHO)	H(CHHO)	C(OOs)(H)3	H(CHHO)	H(CHHO)	106.9258	3.908	6	106.9258	15.272	6	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OP)(H)3	H(CHHO)	H(CHHO)	C(OP)(H)3	H(CHHO)	H(CHHO)	109.4507	1.832	1703	109.4507	3.357	1703	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OP[5])(H)3	H(CHHO)	H(CHHO)	C(OP[5])(H)3	H(CHHO)	H(CHHO)	109.4674	0.042	30	109.4674	0.002	30	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OP[6,6])(H)3	H(CHHO)	H(CHHO)	C(OP[6,6])(H)3	H(CHHO)	H(CHHO)	109.4985	0.030	2	109.4985	0.001	2	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OP[6])(H)3	H(CHHO)	H(CHHO)	C(OP[6])(H)3	H(CHHO)	H(CHHO)	109.5386	0.371	100	109.5386	0.137	100	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OPd)(H)3	H(CHHO)	H(CHHO)	C(OPd)(H)3	H(CHHO)	H(CHHO)	109.4762	0.063	9	109.4762	0.004	9	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OPt)(H)3	H(CHHO)	H(CHHO)	C(OPt)(H)3	H(CHHO)	H(CHHO)	109.4713	0.056	7	109.4713	0.003	7	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(ORe)(H)3	H(CHHO)	H(CHHO)	C(ORe)(H)3	H(CHHO)	H(CHHO)	109.3679	0.364	34	109.3679	0.132	34	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(ORh)(H)3	H(CHHO)	H(CHHO)	C(ORh)(H)3	H(CHHO)	H(CHHO)	109.5556	3.140	19	109.5556	9.858	19	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(ORu)(H)3	H(CHHO)	H(CHHO)	C(ORu)(H)3	H(CHHO)	H(CHHO)	109.5335	0.084	2	109.5335	0.007	2	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OS)(H)3	H(CHHO)	H(CHHO)	C(OS)(H)3	H(CHHO)	H(CHHO)	109.8697	7.308	62	109.8697	53.410	62	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OSe)(H)3	H(CHHO)	H(CHHO)	C(OSe)(H)3	H(CHHO)	H(CHHO)	109.4850	0.032	3	109.4850	0.001	3	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OSi)(H)3	H(CHHO)	H(CHHO)	C(OSi)(H)3	H(CHHO)	H(CHHO)	109.2384	1.874	73	109.2384	3.512	73	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OSi[4x6])(H)3	H(CHHO)	H(CHHO)	C(OSi[4x6])(H)3	H(CHHO)	H(CHHO)	109.4443	0.069	3	109.4443	0.005	3	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OSi[5])(H)3	H(CHHO)	H(CHHO)	C(OSi[5])(H)3	H(CHHO)	H(CHHO)	109.4493	0.044	7	109.4493	0.002	7	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OSi[6])(H)3	H(CHHO)	H(CHHO)	C(OSi[6])(H)3	H(CHHO)	H(CHHO)	109.4564	0.035	7	109.4564	0.001	7	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OTa)(H)3	H(CHHO)	H(CHHO)	C(OTa)(H)3	H(CHHO)	H(CHHO)	109.3913	0.218	3	109.3913	0.047	3	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OTe)(H)3	H(CHHO)	H(CHHO)	C(OTe)(H)3	H(CHHO)	H(CHHO)	109.4874	0.054	12	109.4874	0.003	12	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OTi)(H)3	H(CHHO)	H(CHHO)	C(OTi)(H)3	H(CHHO)	H(CHHO)	109.5017	0.032	3	109.5017	0.001	3	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OZn)(H)3	H(CHHO)	H(CHHO)	C(OZn)(H)3	H(CHHO)	H(CHHO)	109.5016	0.079	5	109.5016	0.006	5	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	C-4:	C-4:	C(OZr)(H)3	H(CHHO)	H(CHHO)	C(OZr)(H)3	H(CHHO)	H(CHHO)	109.4440	0.007	2	109.4440	0.000	2	109.4932	2.141	97663	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	P-2:H-1:H-1:H-1:	C-4:	C-4:	C(PC[5])(H)3	H(CHHP)	H(CHHP)	C(PC[5])(H)3	H(CHHP)	H(CHHP)	109.2952	1.301	6	109.2952	1.693	6	109.2952	1.693	6	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	S-2:Cl-1:H-1:H-1:	C-4:	C-4:	C(SC[6a])(Cl)(H)2	H(CClHS)	H(CClHS)	C(SC[6a])(Cl)(H)2	H(CClHS)	H(CClHS)	107.6460	0.000	1	107.6460	0.000	1	107.6460	0.000	1	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	S-2:H-1:H-1:H-1:	C-4:	C-4:	C(SB[3x3,5,5,9x6])(H)3	H(CHHS)	H(CHHS)	C(SB[3x3,5,5,9x6])(H)3	H(CHHS)	H(CHHS)	109.4750	0.042	2	109.4750	0.002	2	109.5149	1.427	4108	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	S-2:H-1:H-1:H-1:	C-4:	C-4:	C(SB[6])(H)3	H(CHHS)	H(CHHS)	C(SB[6])(H)3	H(CHHS)	H(CHHS)	109.4795	0.142	2	109.4795	0.020	2	109.5149	1.427	4108	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	S-2:H-1:H-1:H-1:	C-4:	C-4:	C(SC)(H)3	H(CHHS)	H(CHHS)	C(SC)(H)3	H(CHHS)	H(CHHS)	109.5685	1.561	1302	109.5685	2.437	1302	109.5149	1.427	4108	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	S-2:H-1:H-1:H-1:	C-4:	C-4:	C(SC[3,3,5,4x6])(H)3	H(CHHS)	H(CHHS)	C(SC[3,3,5,4x6])(H)3	H(CHHS)	H(CHHS)	109.4920	0.057	3	109.4920	0.003	3	109.5149	1.427	4108	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	S-2:H-1:H-1:H-1:	C-4:	C-4:	C(SC[3])(H)3	H(CHHS)	H(CHHS)	C(SC[3])(H)3	H(CHHS)	H(CHHS)	109.4707	0.051	13	109.4707	0.003	13	109.5149	1.427	4108	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	S-2:H-1:H-1:H-1:	C-4:	C-4:	C(SC[3x3,3x5,12x6])(H)3	H(CHHS)	H(CHHS)	C(SC[3x3,3x5,12x6])(H)3	H(CHHS)	H(CHHS)	109.4694	0.053	11	109.4694	0.003	11	109.5149	1.427	4108	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	S-2:H-1:H-1:H-1:	C-4:	C-4:	C(SC[4,6])(H)3	H(CHHS)	H(CHHS)	C(SC[4,6])(H)3	H(CHHS)	H(CHHS)	107.7523	3.918	3	107.7523	15.350	3	109.5149	1.427	4108	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	S-2:H-1:H-1:H-1:	C-4:	C-4:	C(SC[4])(H)3	H(CHHS)	H(CHHS)	C(SC[4])(H)3	H(CHHS)	H(CHHS)	109.4867	0.030	3	109.4867	0.001	3	109.5149	1.427	4108	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	S-2:H-1:H-1:H-1:	C-4:	C-4:	C(SC[5,6])(H)3	H(CHHS)	H(CHHS)	C(SC[5,6])(H)3	H(CHHS)	H(CHHS)	109.4697	0.645	46	109.4697	0.417	46	109.5149	1.427	4108	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	S-2:H-1:H-1:H-1:	C-4:	C-4:	C(SC[5])(H)3	H(CHHS)	H(CHHS)	C(SC[5])(H)3	H(CHHS)	H(CHHS)	109.4448	0.463	647	109.4448	0.215	647	109.5149	1.427	4108	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	S-2:H-1:H-1:H-1:	C-4:	C-4:	C(SC[5a])(H)3	H(CHHS)	H(CHHS)	C(SC[5a])(H)3	H(CHHS)	H(CHHS)	109.5470	0.975	392	109.5470	0.951	392	109.5149	1.427	4108	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	S-2:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6])(H)3	H(CHHS)	H(CHHS)	C(SC[6])(H)3	H(CHHS)	H(CHHS)	109.5287	1.733	136	109.5287	3.002	136	109.5149	1.427	4108	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	S-2:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6a])(H)3	H(CHHS)	H(CHHS)	C(SC[6a])(H)3	H(CHHS)	H(CHHS)	109.5040	1.065	1472	109.5040	1.135	1472	109.5149	1.427	4108	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	S-2:H-1:H-1:H-1:	C-4:	C-4:	C(SFe)(H)3	H(CHHS)	H(CHHS)	C(SFe)(H)3	H(CHHS)	H(CHHS)	109.4746	0.024	10	109.4746	0.001	10	109.5149	1.427	4108	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	S-2:H-1:H-1:H-1:	C-4:	C-4:	C(SGa[5,5])(H)3	H(CHHS)	H(CHHS)	C(SGa[5,5])(H)3	H(CHHS)	H(CHHS)	109.4050	0.000	1	109.4050	0.000	1	109.5149	1.427	4108	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	S-2:H-1:H-1:H-1:	C-4:	C-4:	C(SIn)(H)3	H(CHHS)	H(CHHS)	C(SIn)(H)3	H(CHHS)	H(CHHS)	109.4960	0.092	6	109.4960	0.009	6	109.5149	1.427	4108	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	S-2:H-1:H-1:H-1:	C-4:	C-4:	C(SMo)(H)3	H(CHHS)	H(CHHS)	C(SMo)(H)3	H(CHHS)	H(CHHS)	108.7824	1.448	16	108.7824	2.098	16	109.5149	1.427	4108	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	S-2:H-1:H-1:H-1:	C-4:	C-4:	C(SNi)(H)3	H(CHHS)	H(CHHS)	C(SNi)(H)3	H(CHHS)	H(CHHS)	109.4830	0.023	3	109.4830	0.001	3	109.5149	1.427	4108	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	S-2:H-1:H-1:H-1:	C-4:	C-4:	C(SO)(H)3	H(CHHS)	H(CHHS)	C(SO)(H)3	H(CHHS)	H(CHHS)	109.4875	0.037	2	109.4875	0.001	2	109.5149	1.427	4108	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	S-2:H-1:H-1:H-1:	C-4:	C-4:	C(SP)(H)3	H(CHHS)	H(CHHS)	C(SP)(H)3	H(CHHS)	H(CHHS)	109.4762	0.050	11	109.4762	0.003	11	109.5149	1.427	4108	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	S-2:H-1:H-1:H-1:	C-4:	C-4:	C(SP[5])(H)3	H(CHHS)	H(CHHS)	C(SP[5])(H)3	H(CHHS)	H(CHHS)	109.4564	0.059	7	109.4564	0.003	7	109.5149	1.427	4108	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	S-2:H-1:H-1:H-1:	C-4:	C-4:	C(SPt)(H)3	H(CHHS)	H(CHHS)	C(SPt)(H)3	H(CHHS)	H(CHHS)	109.4799	0.060	15	109.4799	0.004	15	109.5149	1.427	4108	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	S-2:H-1:H-1:H-1:	C-4:	C-4:	C(SW)(H)3	H(CHHS)	H(CHHS)	C(SW)(H)3	H(CHHS)	H(CHHS)	109.4752	0.072	5	109.4752	0.005	5	109.5149	1.427	4108	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	Se-2:H-1:H-1:H-1:	C-4:	C-4:	C(SeC)(H)3	H(CSeHH)	H(CSeHH)	C(SeC)(H)3	H(CSeHH)	H(CSeHH)	108.7332	2.177	24	108.7332	4.739	24	109.2935	1.215	99	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	Se-2:H-1:H-1:H-1:	C-4:	C-4:	C(SeC[5])(H)3	H(CSeHH)	H(CSeHH)	C(SeC[5])(H)3	H(CSeHH)	H(CSeHH)	109.4827	0.026	9	109.4827	0.001	9	109.2935	1.215	99	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	Se-2:H-1:H-1:H-1:	C-4:	C-4:	C(SeC[5a])(H)3	H(CSeHH)	H(CSeHH)	C(SeC[5a])(H)3	H(CSeHH)	H(CSeHH)	109.4730	0.018	5	109.4730	0.000	5	109.2935	1.215	99	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	Se-2:H-1:H-1:H-1:	C-4:	C-4:	C(SeC[6a])(H)3	H(CSeHH)	H(CSeHH)	C(SeC[6a])(H)3	H(CSeHH)	H(CSeHH)	109.4719	0.050	42	109.4719	0.003	42	109.2935	1.215	99	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	Se-2:H-1:H-1:H-1:	C-4:	C-4:	C(SeGe[4])(H)3	H(CSeHH)	H(CSeHH)	C(SeGe[4])(H)3	H(CSeHH)	H(CSeHH)	109.4860	0.064	2	109.4860	0.004	2	109.2935	1.215	99	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	Se-2:H-1:H-1:H-1:	C-4:	C-4:	C(SeHf)(H)3	H(CSeHH)	H(CSeHH)	C(SeHf)(H)3	H(CSeHH)	H(CSeHH)	109.4510	0.044	3	109.4510	0.002	3	109.2935	1.215	99	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	Se-2:H-1:H-1:H-1:	C-4:	C-4:	C(SeP[6])(H)3	H(CSeHH)	H(CSeHH)	C(SeP[6])(H)3	H(CSeHH)	H(CSeHH)	109.4737	0.069	3	109.4737	0.005	3	109.2935	1.215	99	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	Se-2:H-1:H-1:H-1:	C-4:	C-4:	C(SeSe)(H)3	H(CSeHH)	H(CSeHH)	C(SeSe)(H)3	H(CSeHH)	H(CSeHH)	109.4985	0.012	2	109.4985	0.000	2	109.2935	1.215	99	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	Se-2:H-1:H-1:H-1:	C-4:	C-4:	C(SeTi)(H)3	H(CSeHH)	H(CSeHH)	C(SeTi)(H)3	H(CSeHH)	H(CSeHH)	109.4660	0.050	3	109.4660	0.002	3	109.2935	1.215	99	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:1:1:1:	4:	4:	Se-2:H-1:H-1:H-1:	C-4:	C-4:	C(SeZr)(H)3	H(CSeHH)	H(CSeHH)	C(SeZr)(H)3	H(CSeHH)	H(CSeHH)	109.4657	0.040	6	109.4657	0.002	6	109.2935	1.215	99	109.4812	2.110	119978	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	C-2:C-2:H-1:H-1:	C-4:	C-4:	C(CC)(CN)(H)2	H(CCCH)	H(CCCH)	C(CC)(CN)(H)2	H(CCCH)	H(CCCH)	107.8480	0.000	1	107.8480	0.000	1	108.0257	0.102	6	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	C-2:C-2:H-1:H-1:	C-4:	C-4:	C(CC)2(H)2	H(CCCH)	H(CCCH)	C(CC)2(H)2	H(CCCH)	H(CCCH)	108.6450	0.000	1	108.6450	0.000	1	108.0257	0.102	6	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	C-2:C-2:H-1:H-1:	C-4:	C-4:	C(CN)2(H)2	H(CCCH)	H(CCCH)	C(CN)2(H)2	H(CCCH)	H(CCCH)	107.9153	0.124	4	107.9153	0.015	4	108.0257	0.102	6	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	C-2:N-2:H-1:H-1:	C-4:	C-4:	C(CN)(NH)(H)2	H(CCHN)	H(CCHN)	C(CN)(NH)(H)2	H(CCHN)	H(CCHN)	103.8540	0.000	1	103.8540	0.000	1	103.8540	0.000	1	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	C-2:O-2:H-1:H-1:	C-4:	C-4:	C(CC)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC)(OC)(H)2	H(CCHO)	H(CCHO)	108.2673	1.250	95	108.2673	1.564	95	108.2402	1.405	111	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	C-2:O-2:H-1:H-1:	C-4:	C-4:	C(CC)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC)(OH)(H)2	H(CCHO)	H(CCHO)	107.6858	0.353	9	107.6858	0.124	9	108.2402	1.405	111	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	C-2:O-2:H-1:H-1:	C-4:	C-4:	C(CC)(OS)(H)2	H(CCHO)	H(CCHO)	C(CC)(OS)(H)2	H(CCHO)	H(CCHO)	108.9420	0.000	1	108.9420	0.000	1	108.2402	1.405	111	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	C-2:O-2:H-1:H-1:	C-4:	C-4:	C(CN)(OC)(H)2	H(CCHO)	H(CCHO)	C(CN)(OC)(H)2	H(CCHO)	H(CCHO)	108.2247	0.451	3	108.2247	0.204	3	108.2402	1.405	111	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	C-2:O-2:H-1:H-1:	C-4:	C-4:	C(CN)(OH)(H)2	H(CCHO)	H(CCHO)	C(CN)(OH)(H)2	H(CCHO)	H(CCHO)	109.9200	0.000	1	109.9200	0.000	1	108.2402	1.405	111	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	C-2:O-2:H-1:H-1:	C-4:	C-4:	C(CO)(OC)(H)2	H(CCHO)	H(CCHO)	C(CO)(OC)(H)2	H(CCHO)	H(CCHO)	108.2835	0.040	2	108.2835	0.002	2	108.2402	1.405	111	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	C-2:S-2:H-1:H-1:	C-4:	C-4:	C(CC)(SC)(H)2	H(CCHS)	H(CCHS)	C(CC)(SC)(H)2	H(CCHS)	H(CCHS)	106.6022	1.552	5	106.6022	2.408	5	106.7522	2.061	6	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	C-2:S-2:H-1:H-1:	C-4:	C-4:	C(CN)(SS)(H)2	H(CCHS)	H(CCHS)	C(CN)(SS)(H)2	H(CCHS)	H(CCHS)	107.5020	0.000	1	107.5020	0.000	1	106.7522	2.061	6	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	N-2:C-2:H-1:H-1:	C-4:	C-4:	C(NC[5])(CC)(H)2	H(CCHN)	H(CCHN)	C(NC[5])(CC)(H)2	H(CCHN)	H(CCHN)	108.0075	0.043	2	108.0075	0.002	2	107.8506	0.130	7	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	N-2:C-2:H-1:H-1:	C-4:	C-4:	C(NC[6a])(CC)(H)2	H(CCHN)	H(CCHN)	C(NC[6a])(CC)(H)2	H(CCHN)	H(CCHN)	108.4400	0.000	1	108.4400	0.000	1	107.8506	0.130	7	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	N-2:C-2:H-1:H-1:	C-4:	C-4:	C(NP[6])(CC)(H)2	H(CCHN)	H(CCHN)	C(NP[6])(CC)(H)2	H(CCHN)	H(CCHN)	107.6248	0.243	4	107.6248	0.059	4	107.8506	0.130	7	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	N-2:O-2:H-1:H-1:	C-4:	C-4:	C(NMo)(OC)(H)2	H(CHNO)	H(CHNO)	C(NMo)(OC)(H)2	H(CHNO)	H(CHNO)	107.9620	0.000	1	107.9620	0.000	1	107.9620	0.000	1	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	O-2:C-2:H-1:H-1:	C-4:	C-4:	C(OB[6])(CC)(H)2	H(CCHO)	H(CCHO)	C(OB[6])(CC)(H)2	H(CCHO)	H(CCHO)	107.9210	0.152	4	107.9210	0.023	4	108.2651	0.756	160	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	O-2:C-2:H-1:H-1:	C-4:	C-4:	C(OC[3x6])(CC)(H)2	H(CCHO)	H(CCHO)	C(OC[3x6])(CC)(H)2	H(CCHO)	H(CCHO)	108.3570	0.000	1	108.3570	0.000	1	108.2651	0.756	160	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	O-2:C-2:H-1:H-1:	C-4:	C-4:	C(OC[5,6])(CC)(H)2	H(CCHO)	H(CCHO)	C(OC[5,6])(CC)(H)2	H(CCHO)	H(CCHO)	108.1990	0.000	1	108.1990	0.000	1	108.2651	0.756	160	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	O-2:C-2:H-1:H-1:	C-4:	C-4:	C(OC[5a])(CC)(H)2	H(CCHO)	H(CCHO)	C(OC[5a])(CC)(H)2	H(CCHO)	H(CCHO)	109.4065	0.675	2	109.4065	0.456	2	108.2651	0.756	160	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	O-2:C-2:H-1:H-1:	C-4:	C-4:	C(OC[6])(CC)(H)2	H(CCHO)	H(CCHO)	C(OC[6])(CC)(H)2	H(CCHO)	H(CCHO)	108.0424	0.430	7	108.0424	0.185	7	108.2651	0.756	160	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	O-2:C-2:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CC)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CC)(H)2	H(CCHO)	H(CCHO)	108.2275	0.678	123	108.2275	0.460	123	108.2651	0.756	160	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	O-2:C-2:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CN)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CN)(H)2	H(CCHO)	H(CCHO)	108.5776	1.721	20	108.5776	2.962	20	108.2651	0.756	160	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	O-2:C-2:H-1:H-1:	C-4:	C-4:	C(OSi)(CC)(H)2	H(CCHO)	H(CCHO)	C(OSi)(CC)(H)2	H(CCHO)	H(CCHO)	107.7670	0.140	2	107.7670	0.020	2	108.2651	0.756	160	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	O-2:H-2:H-1:H-1:	C-4:	C-4:	C(OC[6a])(HH)(H)2	H(CHHO)	H(CHHO)	C(OC[6a])(HH)(H)2	H(CHHO)	H(CHHO)	105.4170	0.000	1	105.4170	0.000	1	105.4170	0.000	1	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	O-2:O-2:H-1:H-1:	C-4:	C-4:	C(OAl)2(H)2	H(CHOO)	H(CHOO)	C(OAl)2(H)2	H(CHOO)	H(CHOO)	107.7440	0.000	1	107.7440	0.000	1	108.4068	3.376	271	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	O-2:O-2:H-1:H-1:	C-4:	C-4:	C(OB)2(H)2	H(CHOO)	H(CHOO)	C(OB)2(H)2	H(CHOO)	H(CHOO)	108.8630	0.000	1	108.8630	0.000	1	108.4068	3.376	271	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	O-2:O-2:H-1:H-1:	C-4:	C-4:	C(OC)(ON)(H)2	H(CHOO)	H(CHOO)	C(OC)(ON)(H)2	H(CHOO)	H(CHOO)	113.3250	0.000	1	113.3250	0.000	1	108.4068	3.376	271	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	O-2:O-2:H-1:H-1:	C-4:	C-4:	C(OC)(OP)(H)2	H(CHOO)	H(CHOO)	C(OC)(OP)(H)2	H(CHOO)	H(CHOO)	113.7053	6.362	4	113.7053	40.476	4	108.4068	3.376	271	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	O-2:O-2:H-1:H-1:	C-4:	C-4:	C(OC)2(H)2	H(CHOO)	H(CHOO)	C(OC)2(H)2	H(CHOO)	H(CHOO)	108.4675	1.876	59	108.4675	3.518	59	108.4068	3.376	271	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	O-2:O-2:H-1:H-1:	C-4:	C-4:	C(OC[4])(OC)(H)2	H(CHOO)	H(CHOO)	C(OC[4])(OC)(H)2	H(CHOO)	H(CHOO)	109.5160	0.000	1	109.5160	0.000	1	108.4068	3.376	271	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	O-2:O-2:H-1:H-1:	C-4:	C-4:	C(OC[5,6,6])(OC)(H)2	H(CHOO)	H(CHOO)	C(OC[5,6,6])(OC)(H)2	H(CHOO)	H(CHOO)	108.5450	0.000	1	108.5450	0.000	1	108.4068	3.376	271	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	O-2:O-2:H-1:H-1:	C-4:	C-4:	C(OC[5,6])(OC)(H)2	H(CHOO)	H(CHOO)	C(OC[5,6])(OC)(H)2	H(CHOO)	H(CHOO)	107.6707	0.068	6	107.6707	0.005	6	108.4068	3.376	271	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	O-2:O-2:H-1:H-1:	C-4:	C-4:	C(OC[5])(OC)(H)2	H(CHOO)	H(CHOO)	C(OC[5])(OC)(H)2	H(CHOO)	H(CHOO)	107.7683	0.061	7	107.7683	0.004	7	108.4068	3.376	271	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	O-2:O-2:H-1:H-1:	C-4:	C-4:	C(OC[6])(OC)(H)2	H(CHOO)	H(CHOO)	C(OC[6])(OC)(H)2	H(CHOO)	H(CHOO)	108.3410	1.561	44	108.3410	2.436	44	108.4068	3.376	271	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	O-2:O-2:H-1:H-1:	C-4:	C-4:	C(OC[6a])(OC)(H)2	H(CHOO)	H(CHOO)	C(OC[6a])(OC)(H)2	H(CHOO)	H(CHOO)	108.2337	1.285	98	108.2337	1.651	98	108.4068	3.376	271	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	O-2:O-2:H-1:H-1:	C-4:	C-4:	C(OC[6a])2(H)2	H(CHOO)	H(CHOO)	C(OC[6a])2(H)2	H(CHOO)	H(CHOO)	108.3112	1.911	45	108.3112	3.652	45	108.4068	3.376	271	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	O-2:O-2:H-1:H-1:	C-4:	C-4:	C(ON)2(H)2	H(CHOO)	H(CHOO)	C(ON)2(H)2	H(CHOO)	H(CHOO)	107.8170	0.000	1	107.8170	0.000	1	108.4068	3.376	271	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	O-2:O-2:H-1:H-1:	C-4:	C-4:	C(ON[5a])2(H)2	H(CHOO)	H(CHOO)	C(ON[5a])2(H)2	H(CHOO)	H(CHOO)	107.9110	0.000	1	107.9110	0.000	1	108.4068	3.376	271	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	O-2:O-2:H-1:H-1:	C-4:	C-4:	C(OSi)2(H)2	H(CHOO)	H(CHOO)	C(OSi)2(H)2	H(CHOO)	H(CHOO)	111.8090	0.000	1	111.8090	0.000	1	108.4068	3.376	271	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	O-2:S-2:H-1:H-1:	C-4:	C-4:	C(OC[5])(SC)(H)2	H(CHOS)	H(CHOS)	C(OC[5])(SC)(H)2	H(CHOS)	H(CHOS)	108.4000	0.000	1	108.4000	0.000	1	107.8927	0.193	3	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	O-2:S-2:H-1:H-1:	C-4:	C-4:	C(OH)(SC)(H)2	H(CHOS)	H(CHOS)	C(OH)(SC)(H)2	H(CHOS)	H(CHOS)	107.6390	0.025	2	107.6390	0.001	2	107.8927	0.193	3	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	S-2:C-2:H-1:H-1:	C-4:	C-4:	C(SC[5a])(CN)(H)2	H(CCHS)	H(CCHS)	C(SC[5a])(CN)(H)2	H(CCHS)	H(CCHS)	108.4150	0.898	3	108.4150	0.806	3	108.1140	0.424	8	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	S-2:C-2:H-1:H-1:	C-4:	C-4:	C(SC[6])(CC)(H)2	H(CCHS)	H(CCHS)	C(SC[6])(CC)(H)2	H(CCHS)	H(CCHS)	108.0410	0.561	2	108.0410	0.315	2	108.1140	0.424	8	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	S-2:C-2:H-1:H-1:	C-4:	C-4:	C(SC[6a])(CC)(H)2	H(CCHS)	H(CCHS)	C(SC[6a])(CC)(H)2	H(CCHS)	H(CCHS)	107.8617	0.534	3	107.8617	0.285	3	108.1140	0.424	8	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	S-2:O-2:H-1:H-1:	C-4:	C-4:	C(SC[6a])(OC)(H)2	H(CHOS)	H(CHOS)	C(SC[6a])(OC)(H)2	H(CHOS)	H(CHOS)	108.3740	0.000	1	108.3740	0.000	1	108.3740	0.000	1	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	S-2:S-2:H-1:H-1:	C-4:	C-4:	C(SC)(SS)(H)2	H(CHSS)	H(CHSS)	C(SC)(SS)(H)2	H(CHSS)	H(CHSS)	107.5793	0.694	3	107.5793	0.482	3	108.2157	3.681	34	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	S-2:S-2:H-1:H-1:	C-4:	C-4:	C(SC)2(H)2	H(CHSS)	H(CHSS)	C(SC)2(H)2	H(CHSS)	H(CHSS)	107.6461	0.410	7	107.6461	0.168	7	108.2157	3.681	34	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	S-2:S-2:H-1:H-1:	C-4:	C-4:	C(SC[5])2(H)2	H(CHSS)	H(CHSS)	C(SC[5])2(H)2	H(CHSS)	H(CHSS)	108.6130	1.941	4	108.6130	3.768	4	108.2157	3.681	34	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	S-2:S-2:H-1:H-1:	C-4:	C-4:	C(SC[5a])(SC[6a])(H)2	H(CHSS)	H(CHSS)	C(SC[5a])(SC[6a])(H)2	H(CHSS)	H(CHSS)	108.4150	0.000	1	108.4150	0.000	1	108.2157	3.681	34	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	S-2:S-2:H-1:H-1:	C-4:	C-4:	C(SC[5a])2(H)2	H(CHSS)	H(CHSS)	C(SC[5a])2(H)2	H(CHSS)	H(CHSS)	107.3180	0.129	2	107.3180	0.017	2	108.2157	3.681	34	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	S-2:S-2:H-1:H-1:	C-4:	C-4:	C(SC[6])2(H)2	H(CHSS)	H(CHSS)	C(SC[6])2(H)2	H(CHSS)	H(CHSS)	108.6555	0.873	2	108.6555	0.763	2	108.2157	3.681	34	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	S-2:S-2:H-1:H-1:	C-4:	C-4:	C(SC[6a])(SC[6])(H)2	H(CHSS)	H(CHSS)	C(SC[6a])(SC[6])(H)2	H(CHSS)	H(CHSS)	109.7162	4.644	5	109.7162	21.568	5	108.2157	3.681	34	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	S-2:S-2:H-1:H-1:	C-4:	C-4:	C(SC[6a])2(H)2	H(CHSS)	H(CHSS)	C(SC[6a])2(H)2	H(CHSS)	H(CHSS)	107.7429	0.394	8	107.7429	0.155	8	108.2157	3.681	34	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	S-2:S-2:H-1:H-1:	C-4:	C-4:	C(SPt)2(H)2	H(CHSS)	H(CHSS)	C(SPt)2(H)2	H(CHSS)	H(CHSS)	108.9330	0.000	1	108.9330	0.000	1	108.2157	3.681	34	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	S-2:S-2:H-1:H-1:	C-4:	C-4:	C(SRu)2(H)2	H(CHSS)	H(CHSS)	C(SRu)2(H)2	H(CHSS)	H(CHSS)	108.8010	0.000	1	108.8010	0.000	1	108.2157	3.681	34	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	Se-2:C-2:H-1:H-1:	C-4:	C-4:	C(SeC[5])(CC)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[5])(CC)(H)2	H(CSeCH)	H(CSeCH)	107.6920	0.000	1	107.6920	0.000	1	108.0955	0.326	2	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	Se-2:C-2:H-1:H-1:	C-4:	C-4:	C(SeC[6a])(CC)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[6a])(CC)(H)2	H(CSeCH)	H(CSeCH)	108.4990	0.000	1	108.4990	0.000	1	108.0955	0.326	2	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:2:1:1:	4:	4:	Se-2:Se-2:H-1:H-1:	C-4:	C-4:	C(SeC[6a])2(H)2	H(CSe2H)	H(CSe2H)	C(SeC[6a])2(H)2	H(CSe2H)	H(CSe2H)	107.4540	0.000	1	107.4540	0.000	1	107.4540	0.000	1	108.2808	2.243	613	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	C-2:S-3:H-1:H-1:	C-4:	C-4:	C(CC[6])(SReC)(H)2	H(CCHS)	H(CCHS)	C(CC[6])(SReC)(H)2	H(CCHS)	H(CCHS)	116.3770	0.000	1	116.3770	0.000	1	116.3770	0.000	1	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	N-2:C-3:H-1:H-1:	C-4:	C-4:	C(NC[5])(CCH)(H)2	H(CCHN)	H(CCHN)	C(NC[5])(CCH)(H)2	H(CCHN)	H(CCHN)	107.7640	0.000	1	107.7640	0.000	1	107.7640	0.000	1	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	O-2:C-3:H-1:H-1:	C-4:	C-4:	C(OB[6a])(COO)(H)2	H(CCHO)	H(CCHO)	C(OB[6a])(COO)(H)2	H(CCHO)	H(CCHO)	107.5650	0.000	1	107.5650	0.000	1	108.1853	0.680	723	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	O-2:C-3:H-1:H-1:	C-4:	C-4:	C(OC[3,3,5,5,6,6])(CFeC)(H)2	H(CCHO)	H(CCHO)	C(OC[3,3,5,5,6,6])(CFeC)(H)2	H(CCHO)	H(CCHO)	108.0570	0.045	2	108.0570	0.002	2	108.1853	0.680	723	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	O-2:C-3:H-1:H-1:	C-4:	C-4:	C(OC[5])(CCH)(H)2	H(CCHO)	H(CCHO)	C(OC[5])(CCH)(H)2	H(CCHO)	H(CCHO)	107.5740	3.191	7	107.5740	10.184	7	108.1853	0.680	723	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	O-2:C-3:H-1:H-1:	C-4:	C-4:	C(OC[5])(CHH)(H)2	H(CCHO)	H(CCHO)	C(OC[5])(CHH)(H)2	H(CCHO)	H(CCHO)	99.4212	0.000	1	99.4212	0.000	1	108.1853	0.680	723	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	O-2:C-3:H-1:H-1:	C-4:	C-4:	C(OC[5a])(CCH)(H)2	H(CCHO)	H(CCHO)	C(OC[5a])(CCH)(H)2	H(CCHO)	H(CCHO)	107.6885	0.414	2	107.6885	0.171	2	108.1853	0.680	723	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	O-2:C-3:H-1:H-1:	C-4:	C-4:	C(OC[5a])(CNO)(H)2	H(CCHO)	H(CCHO)	C(OC[5a])(CNO)(H)2	H(CCHO)	H(CCHO)	108.6794	0.640	5	108.6794	0.410	5	108.1853	0.680	723	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	O-2:C-3:H-1:H-1:	C-4:	C-4:	C(OC[5a])(COO)(H)2	H(CCHO)	H(CCHO)	C(OC[5a])(COO)(H)2	H(CCHO)	H(CCHO)	108.5707	1.271	3	108.5707	1.614	3	108.1853	0.680	723	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	O-2:C-3:H-1:H-1:	C-4:	C-4:	C(OC[5x3,5x5,20x6])(CCO)(H)2	H(CCHO)	H(CCHO)	C(OC[5x3,5x5,20x6])(CCO)(H)2	H(CCHO)	H(CCHO)	107.8020	0.000	1	107.8020	0.000	1	108.1853	0.680	723	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	O-2:C-3:H-1:H-1:	C-4:	C-4:	C(OC[6])(CCH)(H)2	H(CCHO)	H(CCHO)	C(OC[6])(CCH)(H)2	H(CCHO)	H(CCHO)	108.3255	0.485	11	108.3255	0.235	11	108.1853	0.680	723	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	O-2:C-3:H-1:H-1:	C-4:	C-4:	C(OC[6])(CCO)(H)2	H(CCHO)	H(CCHO)	C(OC[6])(CCO)(H)2	H(CCHO)	H(CCHO)	107.1760	0.000	1	107.1760	0.000	1	108.1853	0.680	723	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	O-2:C-3:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CCC)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CCC)(H)2	H(CCHO)	H(CCHO)	108.2622	0.507	39	108.2622	0.257	39	108.1853	0.680	723	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	O-2:C-3:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CCH)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CCH)(H)2	H(CCHO)	H(CCHO)	108.4845	0.783	99	108.4845	0.613	99	108.1853	0.680	723	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	O-2:C-3:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CCI)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CCI)(H)2	H(CCHO)	H(CCHO)	107.6270	0.126	3	107.6270	0.016	3	108.1853	0.680	723	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	O-2:C-3:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CCO)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CCO)(H)2	H(CCHO)	H(CCHO)	108.4117	1.215	6	108.4117	1.476	6	108.1853	0.680	723	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	O-2:C-3:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CNO)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CNO)(H)2	H(CCHO)	H(CCHO)	108.2280	0.684	229	108.2280	0.468	229	108.1853	0.680	723	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	O-2:C-3:H-1:H-1:	C-4:	C-4:	C(OC[6a])(COO)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(COO)(H)2	H(CCHO)	H(CCHO)	108.0914	0.674	295	108.0914	0.454	295	108.1853	0.680	723	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	O-2:C-3:H-1:H-1:	C-4:	C-4:	C(ON[5])(CCN)(H)2	H(CCHO)	H(CCHO)	C(ON[5])(CCN)(H)2	H(CCHO)	H(CCHO)	107.9835	0.136	4	107.9835	0.018	4	108.1853	0.680	723	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	O-2:C-3:H-1:H-1:	C-4:	C-4:	C(ON[6])(CCN)(H)2	H(CCHO)	H(CCHO)	C(ON[6])(CCN)(H)2	H(CCHO)	H(CCHO)	108.2955	0.371	2	108.2955	0.138	2	108.1853	0.680	723	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	O-2:C-3:H-1:H-1:	C-4:	C-4:	C(OP[6])(CCH)(H)2	H(CCHO)	H(CCHO)	C(OP[6])(CCH)(H)2	H(CCHO)	H(CCHO)	107.9661	0.831	12	107.9661	0.690	12	108.1853	0.680	723	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	O-2:N-3:H-1:H-1:	C-4:	C-4:	C(OGe[6])(NCC)(H)2	H(CHNO)	H(CHNO)	C(OGe[6])(NCC)(H)2	H(CHNO)	H(CHNO)	107.9220	0.000	1	107.9220	0.000	1	107.9220	0.000	1	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	O-2:O-3:H-1:H-1:	C-4:	C-4:	C(OC[6])(OFeC)(H)2	H(CHOO)	H(CHOO)	C(OC[6])(OFeC)(H)2	H(CHOO)	H(CHOO)	107.9610	0.000	1	107.9610	0.000	1	107.9610	0.000	1	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	S-2:C-3:H-1:H-1:	C-4:	C-4:	C(SC[3x3,4,3x5,14x6])(COO)(H)2	H(CCHS)	H(CCHS)	C(SC[3x3,4,3x5,14x6])(COO)(H)2	H(CCHS)	H(CCHS)	107.6093	0.342	7	107.6093	0.117	7	108.0023	1.294	144	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	S-2:C-3:H-1:H-1:	C-4:	C-4:	C(SC[5])(CCH)(H)2	H(CCHS)	H(CCHS)	C(SC[5])(CCH)(H)2	H(CCHS)	H(CCHS)	107.6970	0.000	1	107.6970	0.000	1	108.0023	1.294	144	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	S-2:C-3:H-1:H-1:	C-4:	C-4:	C(SC[5])(CNO)(H)2	H(CCHS)	H(CCHS)	C(SC[5])(CNO)(H)2	H(CCHS)	H(CCHS)	107.7035	0.581	2	107.7035	0.337	2	108.0023	1.294	144	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	S-2:C-3:H-1:H-1:	C-4:	C-4:	C(SC[5])(COO)(H)2	H(CCHS)	H(CCHS)	C(SC[5])(COO)(H)2	H(CCHS)	H(CCHS)	107.6846	0.318	5	107.6846	0.101	5	108.0023	1.294	144	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	S-2:C-3:H-1:H-1:	C-4:	C-4:	C(SC[5a])(CCC)(H)2	H(CCHS)	H(CCHS)	C(SC[5a])(CCC)(H)2	H(CCHS)	H(CCHS)	107.8460	0.000	1	107.8460	0.000	1	108.0023	1.294	144	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	S-2:C-3:H-1:H-1:	C-4:	C-4:	C(SC[5a])(CCH)(H)2	H(CCHS)	H(CCHS)	C(SC[5a])(CCH)(H)2	H(CCHS)	H(CCHS)	107.8912	0.105	4	107.8912	0.011	4	108.0023	1.294	144	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	S-2:C-3:H-1:H-1:	C-4:	C-4:	C(SC[5a])(CCO)(H)2	H(CCHS)	H(CCHS)	C(SC[5a])(CCO)(H)2	H(CCHS)	H(CCHS)	107.6800	0.090	4	107.6800	0.008	4	108.0023	1.294	144	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	S-2:C-3:H-1:H-1:	C-4:	C-4:	C(SC[5a])(CNO)(H)2	H(CCHS)	H(CCHS)	C(SC[5a])(CNO)(H)2	H(CCHS)	H(CCHS)	108.1057	0.818	16	108.1057	0.669	16	108.0023	1.294	144	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	S-2:C-3:H-1:H-1:	C-4:	C-4:	C(SC[5a])(COO)(H)2	H(CCHS)	H(CCHS)	C(SC[5a])(COO)(H)2	H(CCHS)	H(CCHS)	108.0371	0.934	25	108.0371	0.872	25	108.0023	1.294	144	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	S-2:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6])(CCC)(H)2	H(CCHS)	H(CCHS)	C(SC[6])(CCC)(H)2	H(CCHS)	H(CCHS)	108.0744	0.440	5	108.0744	0.193	5	108.0023	1.294	144	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	S-2:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6])(CCH)(H)2	H(CCHS)	H(CCHS)	C(SC[6])(CCH)(H)2	H(CCHS)	H(CCHS)	107.4890	0.294	2	107.4890	0.087	2	108.0023	1.294	144	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	S-2:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6])(CCO)(H)2	H(CCHS)	H(CCHS)	C(SC[6])(CCO)(H)2	H(CCHS)	H(CCHS)	107.6633	0.108	4	107.6633	0.012	4	108.0023	1.294	144	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	S-2:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6])(CNO)(H)2	H(CCHS)	H(CCHS)	C(SC[6])(CNO)(H)2	H(CCHS)	H(CCHS)	103.1950	0.000	1	103.1950	0.000	1	108.0023	1.294	144	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	S-2:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6])(COO)(H)2	H(CCHS)	H(CCHS)	C(SC[6])(COO)(H)2	H(CCHS)	H(CCHS)	108.3205	0.260	8	108.3205	0.067	8	108.0023	1.294	144	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	S-2:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6a])(CCC)(H)2	H(CCHS)	H(CCHS)	C(SC[6a])(CCC)(H)2	H(CCHS)	H(CCHS)	107.9820	0.189	3	107.9820	0.036	3	108.0023	1.294	144	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	S-2:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6a])(CCH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a])(CCH)(H)2	H(CCHS)	H(CCHS)	108.2268	0.405	5	108.2268	0.164	5	108.0023	1.294	144	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	S-2:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6a])(CCO)(H)2	H(CCHS)	H(CCHS)	C(SC[6a])(CCO)(H)2	H(CCHS)	H(CCHS)	109.6600	0.000	1	109.6600	0.000	1	108.0023	1.294	144	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	S-2:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6a])(CNO)(H)2	H(CCHS)	H(CCHS)	C(SC[6a])(CNO)(H)2	H(CCHS)	H(CCHS)	108.2568	1.509	21	108.2568	2.276	21	108.0023	1.294	144	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	S-2:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6a])(COO)(H)2	H(CCHS)	H(CCHS)	C(SC[6a])(COO)(H)2	H(CCHS)	H(CCHS)	108.0307	1.615	29	108.0307	2.610	29	108.0023	1.294	144	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	S-2:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(SC[3x3,4,3x5,14x6])(C[6a]C[6a]2)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(SC[3x3,4,3x5,14x6])(C[6a]C[6a]2)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.8070	0.000	1	108.8070	0.000	1	108.8070	0.000	1	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:3:1:1:	4:	4:	Se-2:C-3:H-1:H-1:	C-4:	C-4:	C(SeC[6a])(CCH)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[6a])(CCH)(H)2	H(CSeCH)	H(CSeCH)	108.7910	0.000	1	108.7910	0.000	1	108.7910	0.000	1	108.1649	0.859	873	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	C-2:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a])(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a])(CHHO)(H)2	H(CCCH)	H(CCCH)	107.6420	0.000	1	107.6420	0.000	1	108.0023	0.165	4	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	C-2:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a])(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a])(CHHN)(H)2	H(CCCH)	H(CCCH)	108.5090	0.000	1	108.5090	0.000	1	108.0023	0.165	4	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	C-2:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5])(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CN[5])(CCHH)(H)2	H(CCCH)	H(CCCH)	107.9290	0.311	2	107.9290	0.097	2	108.0023	0.165	4	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	N-2:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5])(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[5])(CCHH)(H)2	H(CCHN)	H(CCHN)	107.6820	0.609	5	107.6820	0.371	5	108.0614	0.818	72	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	N-2:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5])(CF3)(H)2	H(CCHN)	H(CCHN)	C(NC[5])(CF3)(H)2	H(CCHN)	H(CCHN)	108.2590	0.000	1	108.2590	0.000	1	108.0614	0.818	72	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	N-2:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5])(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[5])(CH3)(H)2	H(CCHN)	H(CCHN)	108.0505	0.029	2	108.0505	0.001	2	108.0614	0.818	72	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	N-2:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5])(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NC[5])(CHHO)(H)2	H(CCHN)	H(CCHN)	108.3950	0.000	1	108.3950	0.000	1	108.0614	0.818	72	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	N-2:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5a])(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[5a])(CH3)(H)2	H(CCHN)	H(CCHN)	107.9440	0.000	1	107.9440	0.000	1	108.0614	0.818	72	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	N-2:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5a])(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NC[5a])(CHHO)(H)2	H(CCHN)	H(CCHN)	107.4343	0.081	3	107.4343	0.007	3	108.0614	0.818	72	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	N-2:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6])(CC3)(H)2	H(CCHN)	H(CCHN)	C(NC[6])(CC3)(H)2	H(CCHN)	H(CCHN)	107.8435	1.269	8	107.8435	1.610	8	108.0614	0.818	72	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	N-2:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6])(CCCO)(H)2	H(CCHN)	H(CCHN)	C(NC[6])(CCCO)(H)2	H(CCHN)	H(CCHN)	107.9490	0.000	1	107.9490	0.000	1	108.0614	0.818	72	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	N-2:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6])(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6])(CCHH)(H)2	H(CCHN)	H(CCHN)	108.1037	0.229	7	108.1037	0.053	7	108.0614	0.818	72	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	N-2:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6])(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[6])(CH3)(H)2	H(CCHN)	H(CCHN)	107.7967	0.289	3	107.7967	0.084	3	108.0614	0.818	72	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	N-2:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6])(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6])(CHHN)(H)2	H(CCHN)	H(CCHN)	109.2748	2.480	5	109.2748	6.152	5	108.0614	0.818	72	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	N-2:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a])(CC3)(H)2	H(CCHN)	H(CCHN)	C(NC[6a])(CC3)(H)2	H(CCHN)	H(CCHN)	107.6605	0.839	2	107.6605	0.704	2	108.0614	0.818	72	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	N-2:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a])(CCFF)(H)2	H(CCHN)	H(CCHN)	C(NC[6a])(CCFF)(H)2	H(CCHN)	H(CCHN)	107.9620	0.000	1	107.9620	0.000	1	108.0614	0.818	72	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	N-2:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a])(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a])(CCHH)(H)2	H(CCHN)	H(CCHN)	107.8921	0.282	7	107.8921	0.079	7	108.0614	0.818	72	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	N-2:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a])(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[6a])(CH3)(H)2	H(CCHN)	H(CCHN)	107.9309	0.372	8	107.9309	0.138	8	108.0614	0.818	72	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	N-2:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a])(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a])(CHHN)(H)2	H(CCHN)	H(CCHN)	108.3080	0.072	2	108.3080	0.005	2	108.0614	0.818	72	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	N-2:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a])(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NC[6a])(CHHO)(H)2	H(CCHN)	H(CCHN)	109.1715	0.639	4	109.1715	0.408	4	108.0614	0.818	72	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	N-2:C-4:H-1:H-1:	C-4:	C-4:	C(NP[6])(CCCH)(H)2	H(CCHN)	H(CCHN)	C(NP[6])(CCCH)(H)2	H(CCHN)	H(CCHN)	107.8320	0.210	5	107.8320	0.044	5	108.0614	0.818	72	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	N-2:C-4:H-1:H-1:	C-4:	C-4:	C(NP[6])(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NP[6])(CCHH)(H)2	H(CCHN)	H(CCHN)	107.8385	0.080	2	107.8385	0.006	2	108.0614	0.818	72	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	N-2:C-4:H-1:H-1:	C-4:	C-4:	C(NP[6])(CH3)(H)2	H(CCHN)	H(CCHN)	C(NP[6])(CH3)(H)2	H(CCHN)	H(CCHN)	108.1017	0.192	3	108.1017	0.037	3	108.0614	0.818	72	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	N-2:C-4:H-1:H-1:	C-4:	C-4:	C(NP[6])(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NP[6])(CHHO)(H)2	H(CCHN)	H(CCHN)	107.4040	0.000	1	107.4040	0.000	1	108.0614	0.818	72	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	N-2:P-4:H-1:H-1:	C-4:	C-4:	C(NC[6a])(PSeCC)(H)2	H(CHNP)	H(CHNP)	C(NC[6a])(PSeCC)(H)2	H(CHNP)	H(CHNP)	108.0050	0.408	3	108.0050	0.167	3	108.0050	0.167	3	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OB[3,3,5,4x6])(CH3)(H)2	H(CCHO)	H(CCHO)	C(OB[3,3,5,4x6])(CH3)(H)2	H(CCHO)	H(CCHO)	106.7290	2.168	2	106.7290	4.700	2	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OB[3x3,3x5,12x6])(CCHH)(H)2	H(CCHO)	H(CCHO)	C(OB[3x3,3x5,12x6])(CCHH)(H)2	H(CCHO)	H(CCHO)	108.5670	0.000	1	108.5670	0.000	1	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OB[3x3,3x5,12x6])(CHHO)(H)2	H(CCHO)	H(CCHO)	C(OB[3x3,3x5,12x6])(CHHO)(H)2	H(CCHO)	H(CCHO)	108.4215	0.004	2	108.4215	0.000	2	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OB[3x6])(CCHH)(H)2	H(CCHO)	H(CCHO)	C(OB[3x6])(CCHH)(H)2	H(CCHO)	H(CCHO)	108.1550	0.000	1	108.1550	0.000	1	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OB[5])(CH3)(H)2	H(CCHO)	H(CCHO)	C(OB[5])(CH3)(H)2	H(CCHO)	H(CCHO)	108.4248	0.134	4	108.4248	0.018	4	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OB[5])(CHHO)(H)2	H(CCHO)	H(CCHO)	C(OB[5])(CHHO)(H)2	H(CCHO)	H(CCHO)	108.2915	0.006	2	108.2915	0.000	2	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OB[5x3,5x5,20x6])(CCHH)(H)2	H(CCHO)	H(CCHO)	C(OB[5x3,5x5,20x6])(CCHH)(H)2	H(CCHO)	H(CCHO)	108.0275	0.101	2	108.0275	0.010	2	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OB[5x3,5x5,20x6])(CH3)(H)2	H(CCHO)	H(CCHO)	C(OB[5x3,5x5,20x6])(CH3)(H)2	H(CCHO)	H(CCHO)	108.2230	0.047	2	108.2230	0.002	2	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OB[6])(CCFF)(H)2	H(CCHO)	H(CCHO)	C(OB[6])(CCFF)(H)2	H(CCHO)	H(CCHO)	108.3900	0.072	2	108.3900	0.005	2	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OB[6])(CCHH)(H)2	H(CCHO)	H(CCHO)	C(OB[6])(CCHH)(H)2	H(CCHO)	H(CCHO)	107.0380	0.112	3	107.0380	0.013	3	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OB[6])(CH3)(H)2	H(CCHO)	H(CCHO)	C(OB[6])(CH3)(H)2	H(CCHO)	H(CCHO)	108.2885	0.143	4	108.2885	0.020	4	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OB[6])(CHHN)(H)2	H(CCHO)	H(CCHO)	C(OB[6])(CHHN)(H)2	H(CCHO)	H(CCHO)	108.1800	0.000	1	108.1800	0.000	1	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[3,3,5,5,6,6])(CCo2C)(H)2	H(CCHO)	H(CCHO)	C(OC[3,3,5,5,6,6])(CCo2C)(H)2	H(CCHO)	H(CCHO)	108.6220	0.000	1	108.6220	0.000	1	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[3,6])(CH3)(H)2	H(CCHO)	H(CCHO)	C(OC[3,6])(CH3)(H)2	H(CCHO)	H(CCHO)	108.4050	0.025	2	108.4050	0.001	2	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[3])(CCCN)(H)2	H(CCHO)	H(CCHO)	C(OC[3])(CCCN)(H)2	H(CCHO)	H(CCHO)	107.7020	0.000	1	107.7020	0.000	1	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[3])(CCHN)(H)2	H(CCHO)	H(CCHO)	C(OC[3])(CCHN)(H)2	H(CCHO)	H(CCHO)	107.9400	0.020	2	107.9400	0.000	2	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[3x6])(CH3)(H)2	H(CCHO)	H(CCHO)	C(OC[3x6])(CH3)(H)2	H(CCHO)	H(CCHO)	108.5307	0.070	3	108.5307	0.005	3	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[4,6])(CH3)(H)2	H(CCHO)	H(CCHO)	C(OC[4,6])(CH3)(H)2	H(CCHO)	H(CCHO)	108.5590	0.000	1	108.5590	0.000	1	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[4])(CCCH)(H)2	H(CCHO)	H(CCHO)	C(OC[4])(CCCH)(H)2	H(CCHO)	H(CCHO)	108.2147	0.211	3	108.2147	0.044	3	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[4])(CCHH)(H)2	H(CCHO)	H(CCHO)	C(OC[4])(CCHH)(H)2	H(CCHO)	H(CCHO)	108.2470	0.380	6	108.2470	0.144	6	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[4])(CH3)(H)2	H(CCHO)	H(CCHO)	C(OC[4])(CH3)(H)2	H(CCHO)	H(CCHO)	108.3500	0.000	1	108.3500	0.000	1	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[4a])(CCHH)(H)2	H(CCHO)	H(CCHO)	C(OC[4a])(CCHH)(H)2	H(CCHO)	H(CCHO)	108.5320	0.000	1	108.5320	0.000	1	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[4a])(CH3)(H)2	H(CCHO)	H(CCHO)	C(OC[4a])(CH3)(H)2	H(CCHO)	H(CCHO)	108.5198	0.214	9	108.5198	0.046	9	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[5,5])(CH3)(H)2	H(CCHO)	H(CCHO)	C(OC[5,5])(CH3)(H)2	H(CCHO)	H(CCHO)	108.7392	0.850	6	108.7392	0.723	6	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[5,6,6])(CFHH)(H)2	H(CCHO)	H(CCHO)	C(OC[5,6,6])(CFHH)(H)2	H(CCHO)	H(CCHO)	108.4107	0.151	3	108.4107	0.023	3	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[5,6])(CH3)(H)2	H(CCHO)	H(CCHO)	C(OC[5,6])(CH3)(H)2	H(CCHO)	H(CCHO)	108.3371	0.129	10	108.3371	0.017	10	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[5])(CCHH)(H)2	H(CCHO)	H(CCHO)	C(OC[5])(CCHH)(H)2	H(CCHO)	H(CCHO)	107.9624	0.880	21	107.9624	0.774	21	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[5])(CCHO)(H)2	H(CCHO)	H(CCHO)	C(OC[5])(CCHO)(H)2	H(CCHO)	H(CCHO)	108.3400	0.000	1	108.3400	0.000	1	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[5])(CH3)(H)2	H(CCHO)	H(CCHO)	C(OC[5])(CH3)(H)2	H(CCHO)	H(CCHO)	108.3071	1.119	86	108.3071	1.252	86	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[5])(CHHN)(H)2	H(CCHO)	H(CCHO)	C(OC[5])(CHHN)(H)2	H(CCHO)	H(CCHO)	107.9590	0.000	1	107.9590	0.000	1	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[5])(CHHO)(H)2	H(CCHO)	H(CCHO)	C(OC[5])(CHHO)(H)2	H(CCHO)	H(CCHO)	108.1993	0.518	3	108.1993	0.268	3	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[5a])(CCCH)(H)2	H(CCHO)	H(CCHO)	C(OC[5a])(CCCH)(H)2	H(CCHO)	H(CCHO)	108.0060	0.342	2	108.0060	0.117	2	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[5a])(CCHH)(H)2	H(CCHO)	H(CCHO)	C(OC[5a])(CCHH)(H)2	H(CCHO)	H(CCHO)	109.3843	3.366	22	109.3843	11.329	22	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[5a])(CF3)(H)2	H(CCHO)	H(CCHO)	C(OC[5a])(CF3)(H)2	H(CCHO)	H(CCHO)	108.6187	0.097	6	108.6187	0.009	6	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[5a])(CH3)(H)2	H(CCHO)	H(CCHO)	C(OC[5a])(CH3)(H)2	H(CCHO)	H(CCHO)	108.4213	0.377	32	108.4213	0.142	32	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[5a])(CHHO)(H)2	H(CCHO)	H(CCHO)	C(OC[5a])(CHHO)(H)2	H(CCHO)	H(CCHO)	109.0549	1.592	12	109.0549	2.533	12	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6,6])(CClHH)(H)2	H(CCHO)	H(CCHO)	C(OC[6,6])(CClHH)(H)2	H(CCHO)	H(CCHO)	108.3350	0.000	1	108.3350	0.000	1	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6,6])(CH3)(H)2	H(CCHO)	H(CCHO)	C(OC[6,6])(CH3)(H)2	H(CCHO)	H(CCHO)	108.3294	0.460	16	108.3294	0.212	16	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6])(CC3)(H)2	H(CCHO)	H(CCHO)	C(OC[6])(CC3)(H)2	H(CCHO)	H(CCHO)	110.7404	0.778	9	110.7404	0.605	9	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6])(CCCH)(H)2	H(CCHO)	H(CCHO)	C(OC[6])(CCCH)(H)2	H(CCHO)	H(CCHO)	108.4876	0.532	5	108.4876	0.283	5	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6])(CCCN)(H)2	H(CCHO)	H(CCHO)	C(OC[6])(CCCN)(H)2	H(CCHO)	H(CCHO)	107.6250	0.000	1	107.6250	0.000	1	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6])(CCHH)(H)2	H(CCHO)	H(CCHO)	C(OC[6])(CCHH)(H)2	H(CCHO)	H(CCHO)	108.4189	0.665	56	108.4189	0.443	56	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6])(CCHN)(H)2	H(CCHO)	H(CCHO)	C(OC[6])(CCHN)(H)2	H(CCHO)	H(CCHO)	107.9027	0.069	3	107.9027	0.005	3	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6])(CCHO)(H)2	H(CCHO)	H(CCHO)	C(OC[6])(CCHO)(H)2	H(CCHO)	H(CCHO)	109.8055	1.812	2	109.8055	3.284	2	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6])(CCo3)(H)2	H(CCHO)	H(CCHO)	C(OC[6])(CCo3)(H)2	H(CCHO)	H(CCHO)	108.5700	0.515	2	108.5700	0.265	2	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6])(CF3)(H)2	H(CCHO)	H(CCHO)	C(OC[6])(CF3)(H)2	H(CCHO)	H(CCHO)	108.2993	0.208	3	108.2993	0.043	3	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6])(CH3)(H)2	H(CCHO)	H(CCHO)	C(OC[6])(CH3)(H)2	H(CCHO)	H(CCHO)	108.5296	4.998	128	108.5296	24.976	128	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6])(CHHN)(H)2	H(CCHO)	H(CCHO)	C(OC[6])(CHHN)(H)2	H(CCHO)	H(CCHO)	108.1070	0.137	3	108.1070	0.019	3	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6])(CHHO)(H)2	H(CCHO)	H(CCHO)	C(OC[6])(CHHO)(H)2	H(CCHO)	H(CCHO)	108.7124	1.884	79	108.7124	3.550	79	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6])(CHHP)(H)2	H(CCHO)	H(CCHO)	C(OC[6])(CHHP)(H)2	H(CCHO)	H(CCHO)	108.1105	0.046	2	108.1105	0.002	2	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CBrHH)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CBrHH)(H)2	H(CCHO)	H(CCHO)	108.4308	0.216	9	108.4308	0.047	9	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CC3)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CC3)(H)2	H(CCHO)	H(CCHO)	108.2388	0.845	63	108.2388	0.714	63	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CCCH)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CCCH)(H)2	H(CCHO)	H(CCHO)	108.3694	0.228	108	108.3694	0.052	108	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CCCN)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CCCN)(H)2	H(CCHO)	H(CCHO)	108.6267	0.127	3	108.6267	0.016	3	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CCFF)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CCFF)(H)2	H(CCHO)	H(CCHO)	108.2750	0.000	1	108.2750	0.000	1	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CCFH)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CCFH)(H)2	H(CCHO)	H(CCHO)	108.4290	0.000	1	108.4290	0.000	1	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CCHH)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CCHH)(H)2	H(CCHO)	H(CCHO)	108.4292	1.038	1011	108.4292	1.077	1011	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CCHN)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CCHN)(H)2	H(CCHO)	H(CCHO)	108.2775	0.421	8	108.2775	0.177	8	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CCHO)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CCHO)(H)2	H(CCHO)	H(CCHO)	108.5213	0.661	63	108.5213	0.437	63	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CClHH)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CClHH)(H)2	H(CCHO)	H(CCHO)	108.4802	0.146	8	108.4802	0.021	8	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CCo2C)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CCo2C)(H)2	H(CCHO)	H(CCHO)	110.4130	1.063	2	110.4130	1.131	2	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CCoOO)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CCoOO)(H)2	H(CCHO)	H(CCHO)	107.4700	0.000	1	107.4700	0.000	1	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CEuOO)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CEuOO)(H)2	H(CCHO)	H(CCHO)	107.4877	0.056	3	107.4877	0.003	3	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CF3)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CF3)(H)2	H(CCHO)	H(CCHO)	108.6232	0.655	14	108.6232	0.429	14	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CFFH)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CFFH)(H)2	H(CCHO)	H(CCHO)	108.6935	0.026	2	108.6935	0.001	2	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CFNN)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CFNN)(H)2	H(CCHO)	H(CCHO)	109.0130	0.248	3	109.0130	0.061	3	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CH3)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CH3)(H)2	H(CCHO)	H(CCHO)	108.5007	0.718	792	108.5007	0.516	792	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CHHN)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CHHN)(H)2	H(CCHO)	H(CCHO)	108.6485	0.817	252	108.6485	0.668	252	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CHHO)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CHHO)(H)2	H(CCHO)	H(CCHO)	108.4180	1.801	1185	108.4180	3.245	1185	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CHHP)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CHHP)(H)2	H(CCHO)	H(CCHO)	108.5796	0.315	15	108.5796	0.099	15	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CHHS)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CHHS)(H)2	H(CCHO)	H(CCHO)	107.0595	2.515	11	107.0595	6.323	11	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CMo2C)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CMo2C)(H)2	H(CCHO)	H(CCHO)	108.9150	0.000	1	108.9150	0.000	1	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CN3)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CN3)(H)2	H(CCHO)	H(CCHO)	108.8300	0.000	1	108.8300	0.000	1	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CRuCH)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CRuCH)(H)2	H(CCHO)	H(CCHO)	108.5425	0.032	2	108.5425	0.001	2	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CSeHH)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CSeHH)(H)2	H(CCHO)	H(CCHO)	108.4340	0.082	2	108.4340	0.007	2	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(CSiHH)(H)2	H(CCHO)	H(CCHO)	C(OC[6a])(CSiHH)(H)2	H(CCHO)	H(CCHO)	108.1673	0.444	7	108.1673	0.197	7	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OGa[4])(CHHN)(H)2	H(CCHO)	H(CCHO)	C(OGa[4])(CHHN)(H)2	H(CCHO)	H(CCHO)	106.4477	1.970	3	106.4477	3.881	3	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OGe[5,3x6])(CH3)(H)2	H(CCHO)	H(CCHO)	C(OGe[5,3x6])(CH3)(H)2	H(CCHO)	H(CCHO)	108.4840	0.000	1	108.4840	0.000	1	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(ON[5])(CCHH)(H)2	H(CCHO)	H(CCHO)	C(ON[5])(CCHH)(H)2	H(CCHO)	H(CCHO)	108.6080	0.170	4	108.6080	0.029	4	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(ON[5])(CHHO)(H)2	H(CCHO)	H(CCHO)	C(ON[5])(CHHO)(H)2	H(CCHO)	H(CCHO)	107.7520	0.000	1	107.7520	0.000	1	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(ON[5a])(CHHO)(H)2	H(CCHO)	H(CCHO)	C(ON[5a])(CHHO)(H)2	H(CCHO)	H(CCHO)	108.2525	0.397	4	108.2525	0.158	4	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(ON[6])(CCHH)(H)2	H(CCHO)	H(CCHO)	C(ON[6])(CCHH)(H)2	H(CCHO)	H(CCHO)	107.5775	0.022	2	107.5775	0.000	2	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(ON[6a])(CCHH)(H)2	H(CCHO)	H(CCHO)	C(ON[6a])(CCHH)(H)2	H(CCHO)	H(CCHO)	108.1170	0.000	1	108.1170	0.000	1	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(ONb[3,4,4,6])(CH3)(H)2	H(CCHO)	H(CCHO)	C(ONb[3,4,4,6])(CH3)(H)2	H(CCHO)	H(CCHO)	107.9430	0.218	4	107.9430	0.048	4	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(ONb[6])(CH3)(H)2	H(CCHO)	H(CCHO)	C(ONb[6])(CH3)(H)2	H(CCHO)	H(CCHO)	106.7805	0.175	2	106.7805	0.031	2	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OP[4,5,5])(CCHH)(H)2	H(CCHO)	H(CCHO)	C(OP[4,5,5])(CCHH)(H)2	H(CCHO)	H(CCHO)	108.0070	0.000	1	108.0070	0.000	1	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OP[4,5])(CC3)(H)2	H(CCHO)	H(CCHO)	C(OP[4,5])(CC3)(H)2	H(CCHO)	H(CCHO)	108.0220	0.000	1	108.0220	0.000	1	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OP[4])(CC3)(H)2	H(CCHO)	H(CCHO)	C(OP[4])(CC3)(H)2	H(CCHO)	H(CCHO)	108.1889	0.129	9	108.1889	0.017	9	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OP[4])(CF3)(H)2	H(CCHO)	H(CCHO)	C(OP[4])(CF3)(H)2	H(CCHO)	H(CCHO)	108.1440	0.000	1	108.1440	0.000	1	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OP[4])(CHHN)(H)2	H(CCHO)	H(CCHO)	C(OP[4])(CHHN)(H)2	H(CCHO)	H(CCHO)	107.9830	0.238	2	107.9830	0.056	2	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OP[4])(CHHO)(H)2	H(CCHO)	H(CCHO)	C(OP[4])(CHHO)(H)2	H(CCHO)	H(CCHO)	108.4847	0.178	6	108.4847	0.032	6	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OP[5])(CCHH)(H)2	H(CCHO)	H(CCHO)	C(OP[5])(CCHH)(H)2	H(CCHO)	H(CCHO)	108.0710	0.000	1	108.0710	0.000	1	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OP[5])(CF3)(H)2	H(CCHO)	H(CCHO)	C(OP[5])(CF3)(H)2	H(CCHO)	H(CCHO)	108.1376	0.107	5	108.1376	0.012	5	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OP[5])(CH3)(H)2	H(CCHO)	H(CCHO)	C(OP[5])(CH3)(H)2	H(CCHO)	H(CCHO)	108.1215	0.145	4	108.1215	0.021	4	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OP[5])(CHHN)(H)2	H(CCHO)	H(CCHO)	C(OP[5])(CHHN)(H)2	H(CCHO)	H(CCHO)	108.5070	0.000	1	108.5070	0.000	1	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OP[6,6])(CF3)(H)2	H(CCHO)	H(CCHO)	C(OP[6,6])(CF3)(H)2	H(CCHO)	H(CCHO)	108.3295	0.350	2	108.3295	0.123	2	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OP[6])(CC3)(H)2	H(CCHO)	H(CCHO)	C(OP[6])(CC3)(H)2	H(CCHO)	H(CCHO)	107.7682	0.138	13	107.7682	0.019	13	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OP[6])(CCCH)(H)2	H(CCHO)	H(CCHO)	C(OP[6])(CCCH)(H)2	H(CCHO)	H(CCHO)	117.3445	0.013	2	117.3445	0.000	2	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OP[6])(CCFF)(H)2	H(CCHO)	H(CCHO)	C(OP[6])(CCFF)(H)2	H(CCHO)	H(CCHO)	108.2640	0.130	29	108.2640	0.017	29	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OP[6])(CCHH)(H)2	H(CCHO)	H(CCHO)	C(OP[6])(CCHH)(H)2	H(CCHO)	H(CCHO)	108.0821	0.334	16	108.0821	0.112	16	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OP[6])(CF3)(H)2	H(CCHO)	H(CCHO)	C(OP[6])(CF3)(H)2	H(CCHO)	H(CCHO)	108.4085	0.043	4	108.4085	0.002	4	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OP[6])(CH3)(H)2	H(CCHO)	H(CCHO)	C(OP[6])(CH3)(H)2	H(CCHO)	H(CCHO)	108.3059	0.361	10	108.3059	0.130	10	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OP[6])(CHHN)(H)2	H(CCHO)	H(CCHO)	C(OP[6])(CHHN)(H)2	H(CCHO)	H(CCHO)	107.5295	0.035	2	107.5295	0.001	2	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OP[6])(CHHO)(H)2	H(CCHO)	H(CCHO)	C(OP[6])(CHHO)(H)2	H(CCHO)	H(CCHO)	108.1897	0.287	33	108.1897	0.083	33	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:H-1:	C-4:	C-4:	C(OSi[5])(CHHN)(H)2	H(CCHO)	H(CCHO)	C(OSi[5])(CHHN)(H)2	H(CCHO)	H(CCHO)	108.4250	0.000	1	108.4250	0.000	1	108.4507	2.304	4304	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:N-4:H-1:H-1:	C-4:	C-4:	C(OC[3,3,5,5,6,6])(NFeCC)(H)2	H(CHNO)	H(CHNO)	C(OC[3,3,5,5,6,6])(NFeCC)(H)2	H(CHNO)	H(CHNO)	108.4530	0.000	1	108.4530	0.000	1	108.4530	0.000	1	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:P-4:H-1:H-1:	C-4:	C-4:	C(OB[6,6])(PC3)(H)2	H(CHOP)	H(CHOP)	C(OB[6,6])(PC3)(H)2	H(CHOP)	H(CHOP)	108.0110	0.000	1	108.0110	0.000	1	107.9740	0.242	9	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:P-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(PCCO)(H)2	H(CHOP)	H(CHOP)	C(OC[6a])(PCCO)(H)2	H(CHOP)	H(CHOP)	107.8473	0.524	3	107.8473	0.275	3	107.9740	0.242	9	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:P-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(PO3)(H)2	H(CHOP)	H(CHOP)	C(OC[6a])(PO3)(H)2	H(CHOP)	H(CHOP)	108.4377	0.228	3	108.4377	0.052	3	107.9740	0.242	9	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:P-4:H-1:H-1:	C-4:	C-4:	C(OP[6])(PCCS)(H)2	H(CHOP)	H(CHOP)	C(OP[6])(PCCS)(H)2	H(CHOP)	H(CHOP)	107.4500	0.191	2	107.4500	0.036	2	107.9740	0.242	9	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:S-4:H-1:H-1:	C-4:	C-4:	C(OC[5a])(SCOO)(H)2	H(CHOS)	H(CHOS)	C(OC[5a])(SCOO)(H)2	H(CHOS)	H(CHOS)	112.1530	0.000	1	112.1530	0.000	1	112.1530	0.000	1	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	O-2:Si-4:H-1:H-1:	C-4:	C-4:	C(OC[6a])(SiC3)(H)2	H(CSiHO)	H(CSiHO)	C(OC[6a])(SiC3)(H)2	H(CSiHO)	H(CSiHO)	108.3850	0.220	3	108.3850	0.048	3	108.3850	0.048	3	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SB[5x3,5x5,20x6])(CHHP)(H)2	H(CCHS)	H(CCHS)	C(SB[5x3,5x5,20x6])(CHHP)(H)2	H(CCHS)	H(CCHS)	108.1605	0.091	2	108.1605	0.008	2	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[3,3,5,5,6,6])(CMnCH)(H)2	H(CCHS)	H(CCHS)	C(SC[3,3,5,5,6,6])(CMnCH)(H)2	H(CCHS)	H(CCHS)	107.9690	0.000	1	107.9690	0.000	1	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[3])(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SC[3])(CCHH)(H)2	H(CCHS)	H(CCHS)	107.8065	0.036	2	107.8065	0.001	2	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[4])(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SC[4])(CHHS)(H)2	H(CCHS)	H(CCHS)	107.4180	0.000	1	107.4180	0.000	1	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5,6])(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SC[5,6])(CCHH)(H)2	H(CCHS)	H(CCHS)	106.3950	0.000	1	106.3950	0.000	1	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5,6])(CH3)(H)2	H(CCHS)	H(CCHS)	C(SC[5,6])(CH3)(H)2	H(CCHS)	H(CCHS)	108.4835	0.135	2	108.4835	0.018	2	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5,6])(CSiHH)(H)2	H(CCHS)	H(CCHS)	C(SC[5,6])(CSiHH)(H)2	H(CCHS)	H(CCHS)	107.5440	0.000	1	107.5440	0.000	1	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5])(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SC[5])(CCHH)(H)2	H(CCHS)	H(CCHS)	107.9855	0.914	117	107.9855	0.835	117	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5])(CCHO)(H)2	H(CCHS)	H(CCHS)	C(SC[5])(CCHO)(H)2	H(CCHS)	H(CCHS)	108.1186	0.401	7	108.1186	0.161	7	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5])(CH3)(H)2	H(CCHS)	H(CCHS)	C(SC[5])(CH3)(H)2	H(CCHS)	H(CCHS)	108.0202	0.836	38	108.0202	0.698	38	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5])(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SC[5])(CHHN)(H)2	H(CCHS)	H(CCHS)	108.4361	0.727	10	108.4361	0.528	10	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5])(CHHO)(H)2	H(CCHS)	H(CCHS)	C(SC[5])(CHHO)(H)2	H(CCHS)	H(CCHS)	108.3960	1.132	21	108.3960	1.280	21	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5])(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SC[5])(CHHS)(H)2	H(CCHS)	H(CCHS)	107.2509	3.911	9	107.2509	15.293	9	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5a])(CC3)(H)2	H(CCHS)	H(CCHS)	C(SC[5a])(CC3)(H)2	H(CCHS)	H(CCHS)	107.2020	0.000	1	107.2020	0.000	1	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5a])(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SC[5a])(CCHH)(H)2	H(CCHS)	H(CCHS)	107.7968	1.101	48	107.7968	1.213	48	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5a])(CCHO)(H)2	H(CCHS)	H(CCHS)	C(SC[5a])(CCHO)(H)2	H(CCHS)	H(CCHS)	107.4800	0.000	1	107.4800	0.000	1	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5a])(CF3)(H)2	H(CCHS)	H(CCHS)	C(SC[5a])(CF3)(H)2	H(CCHS)	H(CCHS)	107.5390	0.000	1	107.5390	0.000	1	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5a])(CH3)(H)2	H(CCHS)	H(CCHS)	C(SC[5a])(CH3)(H)2	H(CCHS)	H(CCHS)	108.0055	0.376	12	108.0055	0.141	12	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5a])(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SC[5a])(CHHN)(H)2	H(CCHS)	H(CCHS)	107.7645	0.360	4	107.7645	0.130	4	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5a])(CHHO)(H)2	H(CCHS)	H(CCHS)	C(SC[5a])(CHHO)(H)2	H(CCHS)	H(CCHS)	108.5233	0.803	9	108.5233	0.644	9	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5a])(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SC[5a])(CHHS)(H)2	H(CCHS)	H(CCHS)	107.8480	0.203	12	107.8480	0.041	12	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5a])(CSiHH)(H)2	H(CCHS)	H(CCHS)	C(SC[5a])(CSiHH)(H)2	H(CCHS)	H(CCHS)	108.4030	0.000	1	108.4030	0.000	1	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6,6])(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SC[6,6])(CHHS)(H)2	H(CCHS)	H(CCHS)	108.1827	0.208	4	108.1827	0.043	4	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6])(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SC[6])(CCHH)(H)2	H(CCHS)	H(CCHS)	107.7954	2.557	20	107.7954	6.537	20	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6])(CH3)(H)2	H(CCHS)	H(CCHS)	C(SC[6])(CH3)(H)2	H(CCHS)	H(CCHS)	108.1579	1.331	21	108.1579	1.773	21	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6])(CHHO)(H)2	H(CCHS)	H(CCHS)	C(SC[6])(CHHO)(H)2	H(CCHS)	H(CCHS)	107.8630	0.000	1	107.8630	0.000	1	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6])(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SC[6])(CHHS)(H)2	H(CCHS)	H(CCHS)	108.1675	0.886	4	108.1675	0.785	4	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a])(CBHH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a])(CBHH)(H)2	H(CCHS)	H(CCHS)	108.5860	0.000	1	108.5860	0.000	1	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a])(CC3)(H)2	H(CCHS)	H(CCHS)	C(SC[6a])(CC3)(H)2	H(CCHS)	H(CCHS)	107.5467	0.442	3	107.5467	0.195	3	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a])(CCCH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a])(CCCH)(H)2	H(CCHS)	H(CCHS)	107.7727	0.214	3	107.7727	0.046	3	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a])(CCCO)(H)2	H(CCHS)	H(CCHS)	C(SC[6a])(CCCO)(H)2	H(CCHS)	H(CCHS)	107.1680	0.000	1	107.1680	0.000	1	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a])(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a])(CCHH)(H)2	H(CCHS)	H(CCHS)	108.4576	1.778	59	108.4576	3.162	59	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a])(CCHN)(H)2	H(CCHS)	H(CCHS)	C(SC[6a])(CCHN)(H)2	H(CCHS)	H(CCHS)	107.6410	0.077	3	107.6410	0.006	3	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a])(CCHO)(H)2	H(CCHS)	H(CCHS)	C(SC[6a])(CCHO)(H)2	H(CCHS)	H(CCHS)	107.8490	0.000	1	107.8490	0.000	1	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a])(CF3)(H)2	H(CCHS)	H(CCHS)	C(SC[6a])(CF3)(H)2	H(CCHS)	H(CCHS)	107.5250	0.000	1	107.5250	0.000	1	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a])(CFeHH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a])(CFeHH)(H)2	H(CCHS)	H(CCHS)	108.6380	0.000	1	108.6380	0.000	1	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a])(CH3)(H)2	H(CCHS)	H(CCHS)	C(SC[6a])(CH3)(H)2	H(CCHS)	H(CCHS)	107.4562	3.283	20	107.4562	10.779	20	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a])(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SC[6a])(CHHN)(H)2	H(CCHS)	H(CCHS)	108.0785	0.409	21	108.0785	0.167	21	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a])(CHHO)(H)2	H(CCHS)	H(CCHS)	C(SC[6a])(CHHO)(H)2	H(CCHS)	H(CCHS)	107.7248	0.173	6	107.7248	0.030	6	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a])(CHHP)(H)2	H(CCHS)	H(CCHS)	C(SC[6a])(CHHP)(H)2	H(CCHS)	H(CCHS)	107.8204	1.466	8	107.8204	2.148	8	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a])(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SC[6a])(CHHS)(H)2	H(CCHS)	H(CCHS)	108.1182	0.407	20	108.1182	0.165	20	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a])(CHOP)(H)2	H(CCHS)	H(CCHS)	C(SC[6a])(CHOP)(H)2	H(CCHS)	H(CCHS)	108.2190	0.000	1	108.2190	0.000	1	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SGe[4])(CH3)(H)2	H(CCHS)	H(CCHS)	C(SGe[4])(CH3)(H)2	H(CCHS)	H(CCHS)	108.1725	0.120	2	108.1725	0.014	2	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:C-4:H-1:H-1:	C-4:	C-4:	C(SIn[5])(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SIn[5])(CHHN)(H)2	H(CCHS)	H(CCHS)	107.6140	0.000	1	107.6140	0.000	1	108.0185	1.908	503	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:Si-4:H-1:H-1:	C-4:	C-4:	C(SC[5])(SiC3)(H)2	H(CSiHS)	H(CSiHS)	C(SC[5])(SiC3)(H)2	H(CSiHS)	H(CSiHS)	108.2640	0.000	1	108.2640	0.000	1	107.8475	0.347	2	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	S-2:Si-4:H-1:H-1:	C-4:	C-4:	C(SC[5a])(SiC3)(H)2	H(CSiHS)	H(CSiHS)	C(SC[5a])(SiC3)(H)2	H(CSiHS)	H(CSiHS)	107.4310	0.000	1	107.4310	0.000	1	107.8475	0.347	2	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	Se-2:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[5])(CCCH)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[5])(CCCH)(H)2	H(CSeCH)	H(CSeCH)	107.6670	0.164	4	107.6670	0.027	4	107.7985	0.111	42	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	Se-2:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[5])(CCHH)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[5])(CCHH)(H)2	H(CSeCH)	H(CSeCH)	107.8269	0.432	8	107.8269	0.186	8	107.7985	0.111	42	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	Se-2:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[5])(CHHN)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[5])(CHHN)(H)2	H(CSeCH)	H(CSeCH)	107.7948	0.386	14	107.7948	0.149	14	107.7985	0.111	42	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	Se-2:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[6])(CCHH)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[6])(CCHH)(H)2	H(CSeCH)	H(CSeCH)	107.5050	0.000	1	107.5050	0.000	1	107.7985	0.111	42	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	Se-2:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[6a])(CCHH)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[6a])(CCHH)(H)2	H(CSeCH)	H(CSeCH)	107.8667	0.108	3	107.8667	0.012	3	107.7985	0.111	42	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	Se-2:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[6a])(CHHN)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[6a])(CHHN)(H)2	H(CSeCH)	H(CSeCH)	107.8495	0.070	2	107.8495	0.005	2	107.7985	0.111	42	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	Se-2:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[6a])(CHHP)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[6a])(CHHP)(H)2	H(CSeCH)	H(CSeCH)	107.7030	0.000	1	107.7030	0.000	1	107.7985	0.111	42	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	Se-2:C-4:H-1:H-1:	C-4:	C-4:	C(SeGe[4])(CH3)(H)2	H(CSeCH)	H(CSeCH)	C(SeGe[4])(CH3)(H)2	H(CSeCH)	H(CSeCH)	108.1084	0.200	5	108.1084	0.040	5	107.7985	0.111	42	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	2:4:1:1:	4:	4:	Se-2:C-4:H-1:H-1:	C-4:	C-4:	C(SePt)(CC3)(H)2	H(CSeCH)	H(CSeCH)	C(SePt)(CC3)(H)2	H(CSeCH)	H(CSeCH)	107.5200	0.109	4	107.5200	0.012	4	107.7985	0.111	42	108.3945	2.238	4944	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	As-3:H-1:H-1:H-1:	C-4:	C-4:	C(AsCC)(H)3	H(CAsHH)	H(CAsHH)	C(AsCC)(H)3	H(CAsHH)	H(CAsHH)	109.4734	0.042	5	109.4734	0.002	5	109.4932	0.436	45	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	As-3:H-1:H-1:H-1:	C-4:	C-4:	C(AsC[6a]As)(H)3	H(CAsHH)	H(CAsHH)	C(AsC[6a]As)(H)3	H(CAsHH)	H(CAsHH)	109.4712	0.070	9	109.4712	0.005	9	109.4932	0.436	45	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	As-3:H-1:H-1:H-1:	C-4:	C-4:	C(AsC[6a]C)(H)3	H(CAsHH)	H(CAsHH)	C(AsC[6a]C)(H)3	H(CAsHH)	H(CAsHH)	109.4700	0.057	15	109.4700	0.003	15	109.4932	0.436	45	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	As-3:H-1:H-1:H-1:	C-4:	C-4:	C(AsC[6a]P)(H)3	H(CAsHH)	H(CAsHH)	C(AsC[6a]P)(H)3	H(CAsHH)	H(CAsHH)	109.5874	1.452	10	109.5874	2.108	10	109.4932	0.436	45	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	As-3:H-1:H-1:H-1:	C-4:	C-4:	C(AsClN)(H)3	H(CAsHH)	H(CAsHH)	C(AsClN)(H)3	H(CAsHH)	H(CAsHH)	109.4435	0.051	6	109.4435	0.003	6	109.4932	0.436	45	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	As[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(As[6]C[6]2)(H)3	H(CAs[6]HH)	H(CAs[6]HH)	C(As[6]C[6]2)(H)3	H(CAs[6]HH)	H(CAs[6]HH)	109.4693	0.047	24	109.4693	0.002	24	109.4693	0.002	24	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	B-3:H-1:H-1:H-1:	C-4:	C-4:	C(BC[5]2)(H)3	H(CBHH)	H(CBHH)	C(BC[5]2)(H)3	H(CBHH)	H(CBHH)	109.4762	0.063	6	109.4762	0.004	6	109.4692	0.003	18	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	B-3:H-1:H-1:H-1:	C-4:	C-4:	C(BC[6a]2)(H)3	H(CBHH)	H(CBHH)	C(BC[6a]2)(H)3	H(CBHH)	H(CBHH)	109.4762	0.048	5	109.4762	0.002	5	109.4692	0.003	18	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	B-3:H-1:H-1:H-1:	C-4:	C-4:	C(BC[6a]C)(H)3	H(CBHH)	H(CBHH)	C(BC[6a]C)(H)3	H(CBHH)	H(CBHH)	109.4782	0.047	5	109.4782	0.002	5	109.4692	0.003	18	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	B-3:H-1:H-1:H-1:	C-4:	C-4:	C(BNO)(H)3	H(CBHH)	H(CBHH)	C(BNO)(H)3	H(CBHH)	H(CBHH)	109.4085	0.028	2	109.4085	0.001	2	109.4692	0.003	18	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	B[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(B[5]O[5]2)(H)3	H(CB[5]HH)	H(CB[5]HH)	C(B[5]O[5]2)(H)3	H(CB[5]HH)	H(CB[5]HH)	109.4800	0.095	2	109.4800	0.009	2	109.4800	0.009	2	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	B[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(B[5a]N[5a]2)(H)3	H(CB[5a]HH)	H(CB[5a]HH)	C(B[5a]N[5a]2)(H)3	H(CB[5a]HH)	H(CB[5a]HH)	109.4517	0.028	6	109.4517	0.001	6	109.4517	0.001	6	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	B[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(B[6]C[6,6]N[6])(H)3	H(CB[6]HH)	H(CB[6]HH)	C(B[6]C[6,6]N[6])(H)3	H(CB[6]HH)	H(CB[6]HH)	109.4327	0.036	3	109.4327	0.001	3	109.4659	0.002	14	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	B[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(B[6]C[6,6a]2)(H)3	H(CB[6]HH)	H(CB[6]HH)	C(B[6]C[6,6a]2)(H)3	H(CB[6]HH)	H(CB[6]HH)	109.4693	0.057	3	109.4693	0.003	3	109.4659	0.002	14	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	B[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(B[6]C[6]N[6])(H)3	H(CB[6]HH)	H(CB[6]HH)	C(B[6]C[6]N[6])(H)3	H(CB[6]HH)	H(CB[6]HH)	109.4995	0.037	4	109.4995	0.001	4	109.4659	0.002	14	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	B[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(B[6]N[6]2)(H)3	H(CB[6]HH)	H(CB[6]HH)	C(B[6]N[6]2)(H)3	H(CB[6]HH)	H(CB[6]HH)	109.4548	0.053	4	109.4548	0.003	4	109.4659	0.002	14	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Br-1:H-1:H-1:	C-4:	C-4:	C(CCC)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CCC)(Br)(H)2	H(CBrCH)	H(CBrCH)	107.8992	0.126	10	107.8992	0.016	10	107.9549	0.862	66	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Br-1:H-1:H-1:	C-4:	C-4:	C(CCH)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CCH)(Br)(H)2	H(CBrCH)	H(CBrCH)	108.1060	0.266	2	108.1060	0.071	2	107.9549	0.862	66	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Br-1:H-1:H-1:	C-4:	C-4:	C(CCO)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CCO)(Br)(H)2	H(CBrCH)	H(CBrCH)	107.8803	0.034	3	107.8803	0.001	3	107.9549	0.862	66	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Br-1:H-1:H-1:	C-4:	C-4:	C(CC[3x6]O)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CC[3x6]O)(Br)(H)2	H(CBrCH)	H(CBrCH)	108.0480	0.041	2	108.0480	0.002	2	107.9549	0.862	66	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Br-1:H-1:H-1:	C-4:	C-4:	C(CC[5]C)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CC[5]C)(Br)(H)2	H(CBrCH)	H(CBrCH)	107.9010	0.013	2	107.9010	0.000	2	107.9549	0.862	66	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Br-1:H-1:H-1:	C-4:	C-4:	C(CC[5]O)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CC[5]O)(Br)(H)2	H(CBrCH)	H(CBrCH)	107.9020	0.000	1	107.9020	0.000	1	107.9549	0.862	66	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Br-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]O)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CC[5a]O)(Br)(H)2	H(CBrCH)	H(CBrCH)	107.8665	0.107	4	107.8665	0.011	4	107.9549	0.862	66	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Br-1:H-1:H-1:	C-4:	C-4:	C(CC[6]O)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CC[6]O)(Br)(H)2	H(CBrCH)	H(CBrCH)	107.9130	0.000	1	107.9130	0.000	1	107.9549	0.862	66	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Br-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CC[6a]C)(Br)(H)2	H(CBrCH)	H(CBrCH)	108.0657	0.079	7	108.0657	0.006	7	107.9549	0.862	66	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Br-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CC[6a]O)(Br)(H)2	H(CBrCH)	H(CBrCH)	108.1922	1.716	15	108.1922	2.943	15	107.9549	0.862	66	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Br-1:H-1:H-1:	C-4:	C-4:	C(CNO)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CNO)(Br)(H)2	H(CBrCH)	H(CBrCH)	108.1896	0.307	5	108.1896	0.094	5	107.9549	0.862	66	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Br-1:H-1:H-1:	C-4:	C-4:	C(CN[5a]C)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CN[5a]C)(Br)(H)2	H(CBrCH)	H(CBrCH)	107.7830	0.000	1	107.7830	0.000	1	107.9549	0.862	66	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Br-1:H-1:H-1:	C-4:	C-4:	C(CN[5a]O)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CN[5a]O)(Br)(H)2	H(CBrCH)	H(CBrCH)	107.9020	0.000	1	107.9020	0.000	1	107.9549	0.862	66	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Br-1:H-1:H-1:	C-4:	C-4:	C(CN[6]O)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CN[6]O)(Br)(H)2	H(CBrCH)	H(CBrCH)	108.2580	0.034	2	108.2580	0.001	2	107.9549	0.862	66	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Br-1:H-1:H-1:	C-4:	C-4:	C(COO)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(COO)(Br)(H)2	H(CBrCH)	H(CBrCH)	107.4506	1.055	10	107.4506	1.112	10	107.9549	0.862	66	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CCC)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CCC)(Cl)(H)2	H(CClCH)	H(CClCH)	108.0935	0.293	2	108.0935	0.086	2	108.0724	1.320	207	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CCH)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CCH)(Cl)(H)2	H(CClCH)	H(CClCH)	107.7005	0.377	4	107.7005	0.142	4	108.0724	1.320	207	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CCN)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CCN)(Cl)(H)2	H(CClCH)	H(CClCH)	107.9710	0.000	1	107.9710	0.000	1	108.0724	1.320	207	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CCO)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CCO)(Cl)(H)2	H(CClCH)	H(CClCH)	108.2635	1.667	17	108.2635	2.780	17	108.0724	1.320	207	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[4]O)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CC[4]O)(Cl)(H)2	H(CClCH)	H(CClCH)	107.6120	0.000	1	107.6120	0.000	1	108.0724	1.320	207	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[5]O)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CC[5]O)(Cl)(H)2	H(CClCH)	H(CClCH)	108.1328	0.817	5	108.1328	0.668	5	108.0724	1.320	207	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]O)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CC[5a]O)(Cl)(H)2	H(CClCH)	H(CClCH)	107.6990	0.000	1	107.6990	0.000	1	108.0724	1.320	207	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CC[6a]C)(Cl)(H)2	H(CClCH)	H(CClCH)	108.1617	0.109	6	108.1617	0.012	6	108.0724	1.320	207	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CC[6a]N)(Cl)(H)2	H(CClCH)	H(CClCH)	108.1655	0.032	2	108.1655	0.001	2	108.0724	1.320	207	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CC[6a]O)(Cl)(H)2	H(CClCH)	H(CClCH)	107.8764	0.374	14	107.8764	0.140	14	108.0724	1.320	207	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CClH)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CClH)(Cl)(H)2	H(CClCH)	H(CClCH)	107.4580	0.000	1	107.4580	0.000	1	108.0724	1.320	207	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CHH)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CHH)(Cl)(H)2	H(CClCH)	H(CClCH)	108.7880	1.286	2	108.7880	1.653	2	108.0724	1.320	207	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CMoN)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CMoN)(Cl)(H)2	H(CClCH)	H(CClCH)	107.6060	0.000	1	107.6060	0.000	1	108.0724	1.320	207	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CNO)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CNO)(Cl)(H)2	H(CClCH)	H(CClCH)	107.9841	1.174	71	107.9841	1.378	71	108.0724	1.320	207	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CN[5]O)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CN[5]O)(Cl)(H)2	H(CClCH)	H(CClCH)	107.9540	0.000	1	107.9540	0.000	1	108.0724	1.320	207	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CN[5a]O)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CN[5a]O)(Cl)(H)2	H(CClCH)	H(CClCH)	107.9650	0.000	1	107.9650	0.000	1	108.0724	1.320	207	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CN[6]O)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CN[6]O)(Cl)(H)2	H(CClCH)	H(CClCH)	108.5033	1.081	27	108.5033	1.168	27	108.0724	1.320	207	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(COO)(Cl)(H)2	H(CClCH)	H(CClCH)	C(COO)(Cl)(H)2	H(CClCH)	H(CClCH)	107.9110	1.312	47	107.9110	1.722	47	108.0724	1.320	207	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CRhO)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CRhO)(Cl)(H)2	H(CClCH)	H(CClCH)	109.0573	0.775	3	109.0573	0.601	3	108.0724	1.320	207	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:F-1:H-1:H-1:	C-4:	C-4:	C(CCH)(F)(H)2	H(CCFH)	H(CCFH)	C(CCH)(F)(H)2	H(CCFH)	H(CCFH)	108.0130	0.000	1	108.0130	0.000	1	108.2804	0.441	15	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:F-1:H-1:H-1:	C-4:	C-4:	C(CCI)(F)(H)2	H(CCFH)	H(CCFH)	C(CCI)(F)(H)2	H(CCFH)	H(CCFH)	107.9985	0.206	6	107.9985	0.042	6	108.2804	0.441	15	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:F-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(F)(H)2	H(CCFH)	H(CCFH)	C(CC[6a]N)(F)(H)2	H(CCFH)	H(CCFH)	108.6805	0.951	2	108.6805	0.905	2	108.2804	0.441	15	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:F-1:H-1:H-1:	C-4:	C-4:	C(CHH)(F)(H)2	H(CCFH)	H(CCFH)	C(CHH)(F)(H)2	H(CCFH)	H(CCFH)	110.2080	0.000	1	110.2080	0.000	1	108.2804	0.441	15	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:F-1:H-1:H-1:	C-4:	C-4:	C(CNO)(F)(H)2	H(CCFH)	H(CCFH)	C(CNO)(F)(H)2	H(CCFH)	H(CCFH)	107.8560	0.124	2	107.8560	0.015	2	108.2804	0.441	15	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:F-1:H-1:H-1:	C-4:	C-4:	C(CN[5]O)(F)(H)2	H(CCFH)	H(CCFH)	C(CN[5]O)(F)(H)2	H(CCFH)	H(CCFH)	108.4350	0.007	2	108.4350	0.000	2	108.2804	0.441	15	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:F-1:H-1:H-1:	C-4:	C-4:	C(COO)(F)(H)2	H(CCFH)	H(CCFH)	C(COO)(F)(H)2	H(CCFH)	H(CCFH)	108.0510	0.000	1	108.0510	0.000	1	108.2804	0.441	15	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CAlH)(H)3	H(CCHH)	H(CCHH)	C(CAlH)(H)3	H(CCHH)	H(CCHH)	108.2047	1.744	6	108.2047	3.040	6	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CAsC)(H)3	H(CCHH)	H(CCHH)	C(CAsC)(H)3	H(CCHH)	H(CCHH)	109.4720	0.025	2	109.4720	0.001	2	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CBC)(H)3	H(CCHH)	H(CCHH)	C(CBC)(H)3	H(CCHH)	H(CCHH)	109.4781	0.051	32	109.4781	0.003	32	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CB[5,5]C)(H)3	H(CCHH)	H(CCHH)	C(CB[5,5]C)(H)3	H(CCHH)	H(CCHH)	108.7775	2.005	13	108.7775	4.019	13	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CB[5]C)(H)3	H(CCHH)	H(CCHH)	C(CB[5]C)(H)3	H(CCHH)	H(CCHH)	109.4590	0.037	2	109.4590	0.001	2	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CB[5]C[5])(H)3	H(CCHH)	H(CCHH)	C(CB[5]C[5])(H)3	H(CCHH)	H(CCHH)	109.4856	0.058	8	109.4856	0.003	8	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CCC)(H)3	H(CCHH)	H(CCHH)	C(CCC)(H)3	H(CCHH)	H(CCHH)	109.3100	1.469	4504	109.3100	2.157	4504	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CCF)(H)3	H(CCHH)	H(CCHH)	C(CCF)(H)3	H(CCHH)	H(CCHH)	109.5018	0.080	5	109.5018	0.006	5	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CCH)(H)3	H(CCHH)	H(CCHH)	C(CCH)(H)3	H(CCHH)	H(CCHH)	109.2766	3.591	859	109.2766	12.898	859	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CCI)(H)3	H(CCHH)	H(CCHH)	C(CCI)(H)3	H(CCHH)	H(CCHH)	109.4596	0.059	22	109.4596	0.003	22	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CCN)(H)3	H(CCHH)	H(CCHH)	C(CCN)(H)3	H(CCHH)	H(CCHH)	109.3494	1.609	7737	109.3494	2.590	7737	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CCO)(H)3	H(CCHH)	H(CCHH)	C(CCO)(H)3	H(CCHH)	H(CCHH)	109.3843	1.431	13034	109.3843	2.049	13034	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CCP)(H)3	H(CCHH)	H(CCHH)	C(CCP)(H)3	H(CCHH)	H(CCHH)	109.4481	3.930	95	109.4481	15.444	95	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CCS)(H)3	H(CCHH)	H(CCHH)	C(CCS)(H)3	H(CCHH)	H(CCHH)	109.3172	1.486	472	109.3172	2.209	472	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CCW)(H)3	H(CCHH)	H(CCHH)	C(CCW)(H)3	H(CCHH)	H(CCHH)	109.4611	0.190	55	109.4611	0.036	55	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3,5,6]O)(H)3	H(CCHH)	H(CCHH)	C(CC[3,5,6]O)(H)3	H(CCHH)	H(CCHH)	109.4900	0.047	2	109.4900	0.002	2	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3,5]N)(H)3	H(CCHH)	H(CCHH)	C(CC[3,5]N)(H)3	H(CCHH)	H(CCHH)	109.4771	0.057	9	109.4771	0.003	9	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3,5]O)(H)3	H(CCHH)	H(CCHH)	C(CC[3,5]O)(H)3	H(CCHH)	H(CCHH)	109.4592	0.045	19	109.4592	0.002	19	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3,6]O)(H)3	H(CCHH)	H(CCHH)	C(CC[3,6]O)(H)3	H(CCHH)	H(CCHH)	109.4866	0.336	7	109.4866	0.113	7	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3]C)(H)3	H(CCHH)	H(CCHH)	C(CC[3]C)(H)3	H(CCHH)	H(CCHH)	109.4620	0.039	14	109.4620	0.002	14	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3]H)(H)3	H(CCHH)	H(CCHH)	C(CC[3]H)(H)3	H(CCHH)	H(CCHH)	109.4782	0.042	10	109.4782	0.002	10	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3]N)(H)3	H(CCHH)	H(CCHH)	C(CC[3]N)(H)3	H(CCHH)	H(CCHH)	108.9614	3.435	9	108.9614	11.798	9	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3]O)(H)3	H(CCHH)	H(CCHH)	C(CC[3]O)(H)3	H(CCHH)	H(CCHH)	108.6111	7.244	36	108.6111	52.481	36	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3x6]O)(H)3	H(CCHH)	H(CCHH)	C(CC[3x6]O)(H)3	H(CCHH)	H(CCHH)	108.8677	3.016	17	108.8677	9.094	17	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4,6]O)(H)3	H(CCHH)	H(CCHH)	C(CC[4,6]O)(H)3	H(CCHH)	H(CCHH)	109.4820	0.006	2	109.4820	0.000	2	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4]C)(H)3	H(CCHH)	H(CCHH)	C(CC[4]C)(H)3	H(CCHH)	H(CCHH)	109.3680	1.534	55	109.3680	2.354	55	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4]H)(H)3	H(CCHH)	H(CCHH)	C(CC[4]H)(H)3	H(CCHH)	H(CCHH)	109.4707	0.053	9	109.4707	0.003	9	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4]N)(H)3	H(CCHH)	H(CCHH)	C(CC[4]N)(H)3	H(CCHH)	H(CCHH)	109.4623	0.059	6	109.4623	0.003	6	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4]O)(H)3	H(CCHH)	H(CCHH)	C(CC[4]O)(H)3	H(CCHH)	H(CCHH)	109.4605	0.049	12	109.4605	0.002	12	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,5,6]C)(H)3	H(CCHH)	H(CCHH)	C(CC[5,5,6]C)(H)3	H(CCHH)	H(CCHH)	109.4433	0.025	3	109.4433	0.001	3	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,5,6]O)(H)3	H(CCHH)	H(CCHH)	C(CC[5,5,6]O)(H)3	H(CCHH)	H(CCHH)	109.7557	7.876	27	109.7557	62.031	27	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,5]C)(H)3	H(CCHH)	H(CCHH)	C(CC[5,5]C)(H)3	H(CCHH)	H(CCHH)	109.1483	2.822	51	109.1483	7.962	51	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,5]O)(H)3	H(CCHH)	H(CCHH)	C(CC[5,5]O)(H)3	H(CCHH)	H(CCHH)	109.4820	0.035	10	109.4820	0.001	10	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,6,6]O)(H)3	H(CCHH)	H(CCHH)	C(CC[5,6,6]O)(H)3	H(CCHH)	H(CCHH)	109.4310	0.050	3	109.4310	0.002	3	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,6]C)(H)3	H(CCHH)	H(CCHH)	C(CC[5,6]C)(H)3	H(CCHH)	H(CCHH)	109.3268	0.634	45	109.3268	0.402	45	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,6]H)(H)3	H(CCHH)	H(CCHH)	C(CC[5,6]H)(H)3	H(CCHH)	H(CCHH)	109.4667	0.017	3	109.4667	0.000	3	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,6]O)(H)3	H(CCHH)	H(CCHH)	C(CC[5,6]O)(H)3	H(CCHH)	H(CCHH)	109.4733	0.526	54	109.4733	0.277	54	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]2)(H)3	H(CCHH)	H(CCHH)	C(CC[5]2)(H)3	H(CCHH)	H(CCHH)	109.4702	0.043	38	109.4702	0.002	38	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]B)(H)3	H(CCHH)	H(CCHH)	C(CC[5]B)(H)3	H(CCHH)	H(CCHH)	109.4653	0.022	3	109.4653	0.000	3	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]C)(H)3	H(CCHH)	H(CCHH)	C(CC[5]C)(H)3	H(CCHH)	H(CCHH)	109.2177	1.959	745	109.2177	3.839	745	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]C[6])(H)3	H(CCHH)	H(CCHH)	C(CC[5]C[6])(H)3	H(CCHH)	H(CCHH)	108.3549	1.707	8	108.3549	2.915	8	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]Cl)(H)3	H(CCHH)	H(CCHH)	C(CC[5]Cl)(H)3	H(CCHH)	H(CCHH)	109.4750	0.045	9	109.4750	0.002	9	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]Fe)(H)3	H(CCHH)	H(CCHH)	C(CC[5]Fe)(H)3	H(CCHH)	H(CCHH)	109.4440	0.011	2	109.4440	0.000	2	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]H)(H)3	H(CCHH)	H(CCHH)	C(CC[5]H)(H)3	H(CCHH)	H(CCHH)	109.0500	4.264	144	109.0500	18.180	144	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]N)(H)3	H(CCHH)	H(CCHH)	C(CC[5]N)(H)3	H(CCHH)	H(CCHH)	109.3286	1.490	301	109.3286	2.221	301	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]N[5])(H)3	H(CCHH)	H(CCHH)	C(CC[5]N[5])(H)3	H(CCHH)	H(CCHH)	109.4557	0.018	3	109.4557	0.000	3	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]O)(H)3	H(CCHH)	H(CCHH)	C(CC[5]O)(H)3	H(CCHH)	H(CCHH)	109.3792	1.227	672	109.3792	1.504	672	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]2)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]2)(H)3	H(CCHH)	H(CCHH)	109.4821	0.037	20	109.4821	0.001	20	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]C)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]C)(H)3	H(CCHH)	H(CCHH)	109.5241	0.836	57	109.5241	0.698	57	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[5])(H)3	H(CCHH)	H(CCHH)	C(CC[5a]C[5])(H)3	H(CCHH)	H(CCHH)	108.5131	3.332	28	108.5131	11.103	28	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]H)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]H)(H)3	H(CCHH)	H(CCHH)	111.8600	0.661	3	111.8600	0.437	3	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]N)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]N)(H)3	H(CCHH)	H(CCHH)	109.2997	1.004	264	109.2997	1.007	264	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]N[5])(H)3	H(CCHH)	H(CCHH)	C(CC[5a]N[5])(H)3	H(CCHH)	H(CCHH)	109.4740	0.013	4	109.4740	0.000	4	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]O)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]O)(H)3	H(CCHH)	H(CCHH)	109.3885	1.551	497	109.3885	2.407	497	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6,6]C)(H)3	H(CCHH)	H(CCHH)	C(CC[6,6]C)(H)3	H(CCHH)	H(CCHH)	109.3852	4.713	6	109.3852	22.216	6	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6,6]H)(H)3	H(CCHH)	H(CCHH)	C(CC[6,6]H)(H)3	H(CCHH)	H(CCHH)	109.4636	0.051	30	109.4636	0.003	30	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6,6]O)(H)3	H(CCHH)	H(CCHH)	C(CC[6,6]O)(H)3	H(CCHH)	H(CCHH)	109.4656	4.378	103	109.4656	19.169	103	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]2)(H)3	H(CCHH)	H(CCHH)	C(CC[6]2)(H)3	H(CCHH)	H(CCHH)	105.9548	5.630	4	105.9548	31.692	4	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]C)(H)3	H(CCHH)	H(CCHH)	C(CC[6]C)(H)3	H(CCHH)	H(CCHH)	109.2727	1.563	662	109.2727	2.444	662	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]H)(H)3	H(CCHH)	H(CCHH)	C(CC[6]H)(H)3	H(CCHH)	H(CCHH)	108.7960	3.890	98	108.7960	15.132	98	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]Ir)(H)3	H(CCHH)	H(CCHH)	C(CC[6]Ir)(H)3	H(CCHH)	H(CCHH)	109.4340	0.438	6	109.4340	0.191	6	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]N)(H)3	H(CCHH)	H(CCHH)	C(CC[6]N)(H)3	H(CCHH)	H(CCHH)	109.3361	1.418	2189	109.3361	2.010	2189	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]O)(H)3	H(CCHH)	H(CCHH)	C(CC[6]O)(H)3	H(CCHH)	H(CCHH)	109.4102	1.242	595	109.4102	1.543	595	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]P)(H)3	H(CCHH)	H(CCHH)	C(CC[6]P)(H)3	H(CCHH)	H(CCHH)	109.4710	0.008	2	109.4710	0.000	2	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]P[6])(H)3	H(CCHH)	H(CCHH)	C(CC[6]P[6])(H)3	H(CCHH)	H(CCHH)	109.5003	0.055	3	109.5003	0.003	3	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]Ru)(H)3	H(CCHH)	H(CCHH)	C(CC[6]Ru)(H)3	H(CCHH)	H(CCHH)	109.4517	0.067	3	109.4517	0.004	3	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]S)(H)3	H(CCHH)	H(CCHH)	C(CC[6]S)(H)3	H(CCHH)	H(CCHH)	108.2051	1.501	9	108.2051	2.253	9	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]2)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]2)(H)3	H(CCHH)	H(CCHH)	109.4487	0.047	3	109.4487	0.002	3	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]C)(H)3	H(CCHH)	H(CCHH)	109.3564	1.383	373	109.3564	1.913	373	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5])(H)3	H(CCHH)	H(CCHH)	C(CC[6a]C[5])(H)3	H(CCHH)	H(CCHH)	109.2661	4.468	46	109.2661	19.964	46	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6])(H)3	H(CCHH)	H(CCHH)	C(CC[6a]C[6])(H)3	H(CCHH)	H(CCHH)	109.9601	7.050	38	109.9601	49.709	38	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]F)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]F)(H)3	H(CCHH)	H(CCHH)	109.4847	0.091	3	109.4847	0.008	3	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]H)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]H)(H)3	H(CCHH)	H(CCHH)	109.4514	0.101	16	109.4514	0.010	16	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]Ir)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]Ir)(H)3	H(CCHH)	H(CCHH)	109.4211	0.079	7	109.4211	0.006	7	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]N)(H)3	H(CCHH)	H(CCHH)	109.3649	1.430	1967	109.3649	2.044	1967	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[5])(H)3	H(CCHH)	H(CCHH)	C(CC[6a]N[5])(H)3	H(CCHH)	H(CCHH)	109.4400	0.071	10	109.4400	0.005	10	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]O)(H)3	H(CCHH)	H(CCHH)	109.3245	1.435	1453	109.3245	2.060	1453	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CClC)(H)3	H(CCHH)	H(CCHH)	C(CClC)(H)3	H(CCHH)	H(CCHH)	109.4590	0.023	2	109.4590	0.001	2	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CCoO)(H)3	H(CCHH)	H(CCHH)	C(CCoO)(H)3	H(CCHH)	H(CCHH)	109.4636	0.033	10	109.4636	0.001	10	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CCrC)(H)3	H(CCHH)	H(CCHH)	C(CCrC)(H)3	H(CCHH)	H(CCHH)	109.4942	0.014	4	109.4942	0.000	4	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CCrN)(H)3	H(CCHH)	H(CCHH)	C(CCrN)(H)3	H(CCHH)	H(CCHH)	109.4720	0.061	3	109.4720	0.004	3	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CCrO)(H)3	H(CCHH)	H(CCHH)	C(CCrO)(H)3	H(CCHH)	H(CCHH)	109.4720	0.061	3	109.4720	0.004	3	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CFeC)(H)3	H(CCHH)	H(CCHH)	C(CFeC)(H)3	H(CCHH)	H(CCHH)	109.4732	0.051	5	109.4732	0.003	5	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CFeN)(H)3	H(CCHH)	H(CCHH)	C(CFeN)(H)3	H(CCHH)	H(CCHH)	109.4654	0.054	5	109.4654	0.003	5	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CFeO)(H)3	H(CCHH)	H(CCHH)	C(CFeO)(H)3	H(CCHH)	H(CCHH)	109.5075	0.035	2	109.5075	0.001	2	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CHH)(H)3	H(CCHH)	H(CCHH)	C(CHH)(H)3	H(CCHH)	H(CCHH)	109.3630	0.973	473	109.3630	0.948	473	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CHN)(H)3	H(CCHH)	H(CCHH)	C(CHN)(H)3	H(CCHH)	H(CCHH)	109.3180	1.436	62	109.3180	2.061	62	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CHO)(H)3	H(CCHH)	H(CCHH)	C(CHO)(H)3	H(CCHH)	H(CCHH)	109.2002	1.333	94	109.2002	1.778	94	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CHP)(H)3	H(CCHH)	H(CCHH)	C(CHP)(H)3	H(CCHH)	H(CCHH)	109.6072	0.930	9	109.6072	0.865	9	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CHS)(H)3	H(CCHH)	H(CCHH)	C(CHS)(H)3	H(CCHH)	H(CCHH)	109.4302	0.039	5	109.4302	0.002	5	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CHfC)(H)3	H(CCHH)	H(CCHH)	C(CHfC)(H)3	H(CCHH)	H(CCHH)	109.4706	0.055	5	109.4706	0.003	5	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CHfN)(H)3	H(CCHH)	H(CCHH)	C(CHfN)(H)3	H(CCHH)	H(CCHH)	109.4782	0.026	6	109.4782	0.001	6	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CInC)(H)3	H(CCHH)	H(CCHH)	C(CInC)(H)3	H(CCHH)	H(CCHH)	109.4265	0.030	6	109.4265	0.001	6	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CIrC)(H)3	H(CCHH)	H(CCHH)	C(CIrC)(H)3	H(CCHH)	H(CCHH)	109.4660	0.077	5	109.4660	0.006	5	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CIrN)(H)3	H(CCHH)	H(CCHH)	C(CIrN)(H)3	H(CCHH)	H(CCHH)	109.4426	0.064	5	109.4426	0.004	5	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CIrO)(H)3	H(CCHH)	H(CCHH)	C(CIrO)(H)3	H(CCHH)	H(CCHH)	109.4916	0.091	15	109.4916	0.008	15	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CMnO)(H)3	H(CCHH)	H(CCHH)	C(CMnO)(H)3	H(CCHH)	H(CCHH)	108.3317	3.879	3	108.3317	15.050	3	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CMnP)(H)3	H(CCHH)	H(CCHH)	C(CMnP)(H)3	H(CCHH)	H(CCHH)	109.4670	0.081	3	109.4670	0.006	3	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CMo2)(H)3	H(CCHH)	H(CCHH)	C(CMo2)(H)3	H(CCHH)	H(CCHH)	109.4200	0.024	2	109.4200	0.001	2	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CMoC)(H)3	H(CCHH)	H(CCHH)	C(CMoC)(H)3	H(CCHH)	H(CCHH)	109.4747	0.054	30	109.4747	0.003	30	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CMoN)(H)3	H(CCHH)	H(CCHH)	C(CMoN)(H)3	H(CCHH)	H(CCHH)	108.9952	3.832	6	108.9952	14.688	6	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CMoO)(H)3	H(CCHH)	H(CCHH)	C(CMoO)(H)3	H(CCHH)	H(CCHH)	109.4634	0.049	21	109.4634	0.002	21	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CNN)(H)3	H(CCHH)	H(CCHH)	C(CNN)(H)3	H(CCHH)	H(CCHH)	109.2286	2.733	344	109.2286	7.470	344	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CNO)(H)3	H(CCHH)	H(CCHH)	C(CNO)(H)3	H(CCHH)	H(CCHH)	109.3626	1.630	4418	109.3626	2.658	4418	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CNP)(H)3	H(CCHH)	H(CCHH)	C(CNP)(H)3	H(CCHH)	H(CCHH)	108.1273	0.298	3	108.1273	0.089	3	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CNS)(H)3	H(CCHH)	H(CCHH)	C(CNS)(H)3	H(CCHH)	H(CCHH)	109.6068	1.592	58	109.6068	2.534	58	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5,5]O)(H)3	H(CCHH)	H(CCHH)	C(CN[5,5]O)(H)3	H(CCHH)	H(CCHH)	109.4802	0.041	6	109.4802	0.002	6	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5]C)(H)3	H(CCHH)	H(CCHH)	C(CN[5]C)(H)3	H(CCHH)	H(CCHH)	109.3269	1.063	20	109.3269	1.129	20	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5]H)(H)3	H(CCHH)	H(CCHH)	C(CN[5]H)(H)3	H(CCHH)	H(CCHH)	109.4457	0.009	3	109.4457	0.000	3	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5]N)(H)3	H(CCHH)	H(CCHH)	C(CN[5]N)(H)3	H(CCHH)	H(CCHH)	109.4667	0.055	80	109.4667	0.003	80	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5]O)(H)3	H(CCHH)	H(CCHH)	C(CN[5]O)(H)3	H(CCHH)	H(CCHH)	109.3532	1.231	681	109.3532	1.515	681	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5]S)(H)3	H(CCHH)	H(CCHH)	C(CN[5]S)(H)3	H(CCHH)	H(CCHH)	109.4669	0.031	21	109.4669	0.001	21	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5]Se)(H)3	H(CCHH)	H(CCHH)	C(CN[5]Se)(H)3	H(CCHH)	H(CCHH)	109.4452	0.193	6	109.4452	0.037	6	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5a]C)(H)3	H(CCHH)	H(CCHH)	C(CN[5a]C)(H)3	H(CCHH)	H(CCHH)	108.8913	0.886	12	108.8913	0.785	12	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5a]C[5])(H)3	H(CCHH)	H(CCHH)	C(CN[5a]C[5])(H)3	H(CCHH)	H(CCHH)	109.4285	0.125	2	109.4285	0.016	2	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5a]N)(H)3	H(CCHH)	H(CCHH)	C(CN[5a]N)(H)3	H(CCHH)	H(CCHH)	109.4751	0.040	14	109.4751	0.002	14	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5a]O)(H)3	H(CCHH)	H(CCHH)	C(CN[5a]O)(H)3	H(CCHH)	H(CCHH)	109.3884	2.640	171	109.3884	6.971	171	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CN[6,6]N)(H)3	H(CCHH)	H(CCHH)	C(CN[6,6]N)(H)3	H(CCHH)	H(CCHH)	109.4995	0.124	2	109.4995	0.015	2	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CN[6,6]O)(H)3	H(CCHH)	H(CCHH)	C(CN[6,6]O)(H)3	H(CCHH)	H(CCHH)	109.4810	0.022	3	109.4810	0.000	3	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CN[6]C)(H)3	H(CCHH)	H(CCHH)	C(CN[6]C)(H)3	H(CCHH)	H(CCHH)	109.4640	0.057	10	109.4640	0.003	10	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CN[6]H)(H)3	H(CCHH)	H(CCHH)	C(CN[6]H)(H)3	H(CCHH)	H(CCHH)	109.4772	0.134	6	109.4772	0.018	6	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CN[6]N)(H)3	H(CCHH)	H(CCHH)	C(CN[6]N)(H)3	H(CCHH)	H(CCHH)	109.4720	0.037	31	109.4720	0.001	31	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CN[6]O)(H)3	H(CCHH)	H(CCHH)	C(CN[6]O)(H)3	H(CCHH)	H(CCHH)	109.3568	1.094	313	109.3568	1.197	313	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CNiC)(H)3	H(CCHH)	H(CCHH)	C(CNiC)(H)3	H(CCHH)	H(CCHH)	109.4700	0.074	2	109.4700	0.005	2	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CNiN)(H)3	H(CCHH)	H(CCHH)	C(CNiN)(H)3	H(CCHH)	H(CCHH)	109.4941	0.069	7	109.4941	0.005	7	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CNiO)(H)3	H(CCHH)	H(CCHH)	C(CNiO)(H)3	H(CCHH)	H(CCHH)	109.5030	0.017	2	109.5030	0.000	2	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(COO)(H)3	H(CCHH)	H(CCHH)	C(COO)(H)3	H(CCHH)	H(CCHH)	109.3865	1.512	10406	109.3865	2.287	10406	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(COS)(H)3	H(CCHH)	H(CCHH)	C(COS)(H)3	H(CCHH)	H(CCHH)	109.3844	0.439	234	109.3844	0.193	234	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(COW)(H)3	H(CCHH)	H(CCHH)	C(COW)(H)3	H(CCHH)	H(CCHH)	109.4953	0.042	3	109.4953	0.002	3	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(COsC)(H)3	H(CCHH)	H(CCHH)	C(COsC)(H)3	H(CCHH)	H(CCHH)	109.4465	0.050	6	109.4465	0.003	6	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(COsN)(H)3	H(CCHH)	H(CCHH)	C(COsN)(H)3	H(CCHH)	H(CCHH)	109.4430	0.031	3	109.4430	0.001	3	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(COsO)(H)3	H(CCHH)	H(CCHH)	C(COsO)(H)3	H(CCHH)	H(CCHH)	109.5323	0.090	3	109.5323	0.008	3	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CPP)(H)3	H(CCHH)	H(CCHH)	C(CPP)(H)3	H(CCHH)	H(CCHH)	109.4754	0.025	5	109.4754	0.001	5	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CP[4]C)(H)3	H(CCHH)	H(CCHH)	C(CP[4]C)(H)3	H(CCHH)	H(CCHH)	109.4897	0.033	6	109.4897	0.001	6	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CP[5]N)(H)3	H(CCHH)	H(CCHH)	C(CP[5]N)(H)3	H(CCHH)	H(CCHH)	109.5090	0.028	2	109.5090	0.001	2	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CPdN)(H)3	H(CCHH)	H(CCHH)	C(CPdN)(H)3	H(CCHH)	H(CCHH)	109.4746	0.042	9	109.4746	0.002	9	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CPdO)(H)3	H(CCHH)	H(CCHH)	C(CPdO)(H)3	H(CCHH)	H(CCHH)	109.4828	0.054	12	109.4828	0.003	12	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CPtC)(H)3	H(CCHH)	H(CCHH)	C(CPtC)(H)3	H(CCHH)	H(CCHH)	109.3617	0.351	9	109.3617	0.123	9	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CPtO)(H)3	H(CCHH)	H(CCHH)	C(CPtO)(H)3	H(CCHH)	H(CCHH)	109.4670	0.045	20	109.4670	0.002	20	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CReC)(H)3	H(CCHH)	H(CCHH)	C(CReC)(H)3	H(CCHH)	H(CCHH)	109.4933	0.062	16	109.4933	0.004	16	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CReO)(H)3	H(CCHH)	H(CCHH)	C(CReO)(H)3	H(CCHH)	H(CCHH)	109.4818	0.082	5	109.4818	0.007	5	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CRhC)(H)3	H(CCHH)	H(CCHH)	C(CRhC)(H)3	H(CCHH)	H(CCHH)	109.4912	0.065	5	109.4912	0.004	5	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CRhO)(H)3	H(CCHH)	H(CCHH)	C(CRhO)(H)3	H(CCHH)	H(CCHH)	109.0872	1.940	25	109.0872	3.762	25	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CRuC)(H)3	H(CCHH)	H(CCHH)	C(CRuC)(H)3	H(CCHH)	H(CCHH)	109.4787	0.042	21	109.4787	0.002	21	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CRuN)(H)3	H(CCHH)	H(CCHH)	C(CRuN)(H)3	H(CCHH)	H(CCHH)	109.4438	0.053	6	109.4438	0.003	6	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CRuO)(H)3	H(CCHH)	H(CCHH)	C(CRuO)(H)3	H(CCHH)	H(CCHH)	109.4337	0.041	3	109.4337	0.002	3	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CSS)(H)3	H(CCHH)	H(CCHH)	C(CSS)(H)3	H(CCHH)	H(CCHH)	109.4800	0.040	9	109.4800	0.002	9	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CSeC)(H)3	H(CCHH)	H(CCHH)	C(CSeC)(H)3	H(CCHH)	H(CCHH)	109.4780	0.022	4	109.4780	0.000	4	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CSeO)(H)3	H(CCHH)	H(CCHH)	C(CSeO)(H)3	H(CCHH)	H(CCHH)	109.4750	0.050	8	109.4750	0.002	8	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CSiC)(H)3	H(CCHH)	H(CCHH)	C(CSiC)(H)3	H(CCHH)	H(CCHH)	109.4206	1.160	77	109.4206	1.346	77	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CSiH)(H)3	H(CCHH)	H(CCHH)	C(CSiH)(H)3	H(CCHH)	H(CCHH)	109.4590	0.107	7	109.4590	0.012	7	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CSiN)(H)3	H(CCHH)	H(CCHH)	C(CSiN)(H)3	H(CCHH)	H(CCHH)	109.4600	0.024	3	109.4600	0.001	3	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CSi[3x6]O)(H)3	H(CCHH)	H(CCHH)	C(CSi[3x6]O)(H)3	H(CCHH)	H(CCHH)	109.4670	0.060	3	109.4670	0.004	3	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CSnH)(H)3	H(CCHH)	H(CCHH)	C(CSnH)(H)3	H(CCHH)	H(CCHH)	98.9562	13.534	3	98.9562	183.179	3	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CTaC)(H)3	H(CCHH)	H(CCHH)	C(CTaC)(H)3	H(CCHH)	H(CCHH)	109.4203	0.027	3	109.4203	0.001	3	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CTaN)(H)3	H(CCHH)	H(CCHH)	C(CTaN)(H)3	H(CCHH)	H(CCHH)	109.5080	0.025	2	109.5080	0.001	2	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CTiC)(H)3	H(CCHH)	H(CCHH)	C(CTiC)(H)3	H(CCHH)	H(CCHH)	109.4815	0.052	4	109.4815	0.003	4	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CTiN)(H)3	H(CCHH)	H(CCHH)	C(CTiN)(H)3	H(CCHH)	H(CCHH)	109.4908	0.061	10	109.4908	0.004	10	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CZnC)(H)3	H(CCHH)	H(CCHH)	C(CZnC)(H)3	H(CCHH)	H(CCHH)	108.2198	2.810	12	108.2198	7.895	12	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CZrC)(H)3	H(CCHH)	H(CCHH)	C(CZrC)(H)3	H(CCHH)	H(CCHH)	109.4777	0.054	3	109.4777	0.003	3	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	C-4:	C-4:	C(CZrN)(H)3	H(CCHH)	H(CCHH)	C(CZrN)(H)3	H(CCHH)	H(CCHH)	109.4617	0.010	3	109.4617	0.000	3	109.3569	2.649	55622	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:I-1:	C-4:	C-4:	C(CCC)(H)2(I)	H(CCHI)	H(CCHI)	C(CCC)(H)2(I)	H(CCHI)	H(CCHI)	107.8735	0.054	2	107.8735	0.003	2	108.9794	15.416	21	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:I-1:	C-4:	C-4:	C(CCH)(H)2(I)	H(CCHI)	H(CCHI)	C(CCH)(H)2(I)	H(CCHI)	H(CCHI)	108.2260	0.025	2	108.2260	0.001	2	108.9794	15.416	21	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:I-1:	C-4:	C-4:	C(CCI)(H)2(I)	H(CCHI)	H(CCHI)	C(CCI)(H)2(I)	H(CCHI)	H(CCHI)	107.7500	0.040	2	107.7500	0.002	2	108.9794	15.416	21	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:I-1:	C-4:	C-4:	C(CC[5]H)(H)2(I)	H(CCHI)	H(CCHI)	C(CC[5]H)(H)2(I)	H(CCHI)	H(CCHI)	107.7780	0.000	1	107.7780	0.000	1	108.9794	15.416	21	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:I-1:	C-4:	C-4:	C(CC[5]O)(H)2(I)	H(CCHI)	H(CCHI)	C(CC[5]O)(H)2(I)	H(CCHI)	H(CCHI)	108.5405	0.125	2	108.5405	0.016	2	108.9794	15.416	21	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:I-1:	C-4:	C-4:	C(CNO)(H)2(I)	H(CCHI)	H(CCHI)	C(CNO)(H)2(I)	H(CCHI)	H(CCHI)	110.3940	6.338	8	110.3940	40.170	8	108.9794	15.416	21	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:I-1:	C-4:	C-4:	C(CN[6,6]O)(H)2(I)	H(CCHI)	H(CCHI)	C(CN[6,6]O)(H)2(I)	H(CCHI)	H(CCHI)	107.7700	0.000	1	107.7700	0.000	1	108.9794	15.416	21	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:I-1:	C-4:	C-4:	C(COO)(H)2(I)	H(CCHI)	H(CCHI)	C(COO)(H)2(I)	H(CCHI)	H(CCHI)	108.3623	0.165	3	108.3623	0.027	3	108.9794	15.416	21	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:O-1:	C-4:	C-4:	C(CCH)(H)2(O)	H(CCHO)	H(CCHO)	C(CCH)(H)2(O)	H(CCHO)	H(CCHO)	109.9433	3.392	3	109.9433	11.506	3	109.5040	7.048	6	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:O-1:	C-4:	C-4:	C(CHH)(H)2(O)	H(CCHO)	H(CCHO)	C(CHH)(H)2(O)	H(CCHO)	H(CCHO)	109.0647	2.352	3	109.0647	5.534	3	109.5040	7.048	6	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[3]-3:Br-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2)(Br)(H)2	H(CC[3]BrH)	H(CC[3]BrH)	C(C[3]C[3]2)(Br)(H)2	H(CC[3]BrH)	H(CC[3]BrH)	108.1790	0.000	1	108.1790	0.000	1	108.1790	0.000	1	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[3]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3]2)(H)3	H(CC[3]HH)	H(CC[3]HH)	108.5711	2.432	7	108.5711	5.916	7	109.3801	0.628	66	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[3]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]N[3])(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3]N[3])(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4826	0.026	5	109.4826	0.001	5	109.3801	0.628	66	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[3]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3])(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3]O[3])(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4593	0.074	3	109.4593	0.005	3	109.3801	0.628	66	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[3]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]Nb[3,3,3x6]C[3])(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]Nb[3,3,3x6]C[3])(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4658	0.072	10	109.4658	0.005	10	109.3801	0.628	66	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[3]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]Nb[3,3x6]C[3])(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]Nb[3,3x6]C[3])(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4736	0.060	21	109.4736	0.004	21	109.3801	0.628	66	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[3]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]Nb[3,5,6,6]C[3])(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]Nb[3,5,6,6]C[3])(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4748	0.048	13	109.4748	0.002	13	109.3801	0.628	66	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[3]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]Nb[3,5,6]C[3])(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]Nb[3,5,6]C[3])(H)3	H(CC[3]HH)	H(CC[3]HH)	109.5126	0.044	5	109.5126	0.002	5	109.3801	0.628	66	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[3]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]Nb[3,6]C[3])(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]Nb[3,6]C[3])(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4800	0.109	2	109.4800	0.012	2	109.3801	0.628	66	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[3a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[3a]Si[3a]C[3a])(H)3	H(CC[3a]HH)	H(CC[3a]HH)	C(C[3a]Si[3a]C[3a])(H)3	H(CC[3a]HH)	H(CC[3a]HH)	109.4695	0.042	2	109.4695	0.002	2	109.4695	0.002	2	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[4]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]B[4]C[4])(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]B[4]C[4])(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4825	0.057	2	109.4825	0.003	2	109.2275	1.161	56	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[4]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,4,5]C[4])(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4,4,5]C[4])(H)3	H(CC[4]HH)	H(CC[4]HH)	107.2263	2.714	6	107.2263	7.367	6	109.2275	1.161	56	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[4]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,4]C[4])(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4,4]C[4])(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4760	0.069	2	109.4760	0.005	2	109.2275	1.161	56	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[4]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,5]C[4])(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4,5]C[4])(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4633	0.069	3	109.4633	0.005	3	109.2275	1.161	56	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[4]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6,6]C[4])(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4,6,6]C[4])(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4777	0.016	3	109.4777	0.000	3	109.2275	1.161	56	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[4]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6]C[4])(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4,6]C[4])(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4634	0.065	14	109.4634	0.004	14	109.2275	1.161	56	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[4]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4]2)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4682	0.042	9	109.4682	0.002	9	109.2275	1.161	56	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[4]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]P[4])(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4]P[4])(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4785	0.100	2	109.4785	0.010	2	109.2275	1.161	56	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[4]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]N[4]2)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]N[4]2)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4655	0.050	15	109.4655	0.003	15	109.2275	1.161	56	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[4a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[4a]C[4a]2)(H)3	H(CC[4a]HH)	H(CC[4a]HH)	C(C[4a]C[4a]2)(H)3	H(CC[4a]HH)	H(CC[4a]HH)	109.2583	0.571	10	109.2583	0.326	10	109.2583	0.326	10	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5,5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6]2)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.5315	0.087	2	109.5315	0.008	2	109.5315	0.008	2	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5,6]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(Cl)(H)2	H(CC[5,6]ClH)	H(CC[5,6]ClH)	C(C[5,6]C[5,5,6]C[5,6])(Cl)(H)2	H(CC[5,6]ClH)	H(CC[5,6]ClH)	108.1880	0.025	2	108.1880	0.001	2	108.1880	0.001	2	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5,6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3,5,6]C[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4876	0.047	5	109.4876	0.002	5	109.2502	1.060	309	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5,6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3x5,6]C[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[3x5,6]C[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4636	0.051	20	109.4636	0.003	20	109.2502	1.060	309	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5,6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[4,5,5,6]C[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[4,5,5,6]C[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4653	0.042	6	109.4653	0.002	6	109.2502	1.060	309	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5,6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[4,5,6]C[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[4,5,6]C[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.5130	0.004	2	109.5130	0.000	2	109.2502	1.060	309	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5,6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,3x6]C[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,3x6]C[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4980	0.082	5	109.4980	0.007	5	109.2502	1.060	309	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5,6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4795	0.047	11	109.4795	0.002	11	109.2502	1.060	309	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5,6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.2058	1.122	258	109.2058	1.258	258	109.2502	1.060	309	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5,6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]P[5,5,6,6]P[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]P[5,5,6,6]P[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4635	0.029	2	109.4635	0.001	2	109.2502	1.060	309	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:Br-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5])(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	C(C[5]C[5,6a]C[5])(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	107.5320	0.000	1	107.5320	0.000	1	107.9706	0.071	5	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:Br-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	C(C[5]C[5]2)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	108.0817	0.151	3	108.0817	0.023	3	107.9706	0.071	5	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:Br-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5])(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	C(C[5]C[5]S[5])(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	108.0760	0.000	1	108.0760	0.000	1	107.9706	0.071	5	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	C(C[5]C[5]2)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	108.0950	0.100	3	108.0950	0.010	3	108.2585	0.262	13	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	C(C[5]C[5]N[5])(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	108.6333	0.860	4	108.6333	0.739	4	108.2585	0.262	13	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	C(C[5]N[5]2)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	108.0905	0.134	6	108.0905	0.018	6	108.2585	0.262	13	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]B[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]B[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4652	0.052	13	109.4652	0.003	13	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]B[5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]B[5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.5167	0.042	6	109.5167	0.002	6	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]B[5x3,3x5,6]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]B[5x3,3x5,6]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4733	0.019	3	109.4733	0.000	3	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]B[5x3,6x5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]B[5x3,6x5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4797	0.065	3	109.4797	0.004	3	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3,5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	108.7304	2.209	20	108.7304	4.879	20	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3,5]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4969	2.606	15	109.4969	6.794	15	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3x5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3x5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4590	0.040	2	109.4590	0.002	2	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[4,5,6]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[4,5,6]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.5383	0.099	4	109.5383	0.010	4	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[4,5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[4,5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	108.2952	3.184	9	108.2952	10.140	9	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,3x6]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,3x6]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4678	0.053	6	109.4678	0.003	6	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5,6,6]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5,6,6]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4675	0.137	10	109.4675	0.019	10	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5,6]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3187	0.730	28	109.3187	0.533	28	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5,6]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5,6]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4842	0.039	12	109.4842	0.002	12	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4740	0.049	5	109.4740	0.002	5	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5,6])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]C[5,6])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4632	0.026	6	109.4632	0.001	6	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	108.9443	1.438	183	108.9443	2.067	183	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4703	0.048	93	109.4703	0.002	93	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4667	0.045	3	109.4667	0.002	3	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5a]C[5,6])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5a]C[5,6])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.5020	0.039	3	109.5020	0.002	3	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4950	0.055	6	109.4950	0.003	6	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6,6]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6,6]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4662	0.046	17	109.4662	0.002	17	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3020	1.133	209	109.3020	1.283	209	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]N[5,5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]N[5,5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4888	0.055	37	109.4888	0.003	37	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4751	0.077	77	109.4751	0.006	77	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4977	0.034	3	109.4977	0.001	3	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5,5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4671	0.057	12	109.4671	0.003	12	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,6])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4887	0.042	4	109.4887	0.002	4	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3639	0.415	44	109.3639	0.172	44	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4618	0.067	33	109.4618	0.004	33	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4707	0.073	3	109.4707	0.005	3	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]Se[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]Se[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4930	0.008	2	109.4930	0.000	2	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3064	1.449	2783	109.3064	2.100	2783	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3794	1.122	12001	109.3794	1.259	12001	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4825	0.589	121	109.4825	0.347	121	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]P[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]P[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4839	0.064	67	109.4839	0.004	67	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]S[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.2859	0.961	722	109.2859	0.924	722	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5x3,6x5,20x6]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5x3,6x5,20x6]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4706	0.052	7	109.4706	0.003	7	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]Ge[5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]Ge[5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4300	0.061	2	109.4300	0.004	2	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]Ge[5]P[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]Ge[5]P[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4557	0.072	6	109.4557	0.005	6	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[4,5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[4,5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4870	0.030	14	109.4870	0.001	14	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	108.8918	3.318	27	108.8918	11.012	27	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,5]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4488	0.111	6	109.4488	0.012	6	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,5a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4780	0.027	4	109.4780	0.001	4	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6,6]C[5,6a])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,6,6]C[5,6a])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4804	0.044	5	109.4804	0.002	5	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6,6]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,6,6]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4729	0.069	125	109.4729	0.005	125	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6,6a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,6,6a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4648	0.032	6	109.4648	0.001	6	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,6]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3061	1.004	31	109.3061	1.007	31	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,6]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4070	0.030	2	109.4070	0.001	2	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,6]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4670	0.014	2	109.4670	0.000	2	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,6a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4815	0.060	13	109.4815	0.004	13	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4494	1.448	1498	109.4494	2.098	1498	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.5264	2.264	172	109.5264	5.126	172	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]P[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5]P[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4767	0.030	10	109.4767	0.001	10	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]S[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5]S[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.2450	1.052	188	109.2450	1.107	188	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]Nb[3,3,5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]Nb[3,3,5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4885	0.071	2	109.4885	0.005	2	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]Nb[3,5,5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]Nb[3,5,5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4532	0.047	5	109.4532	0.002	5	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]Nb[5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]Nb[5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4375	0.070	2	109.4375	0.005	2	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]P[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]P[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4788	0.013	6	109.4788	0.000	6	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]Se[5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]Se[5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4942	0.517	207	109.4942	0.267	207	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]Si[5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]Si[5]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4817	0.191	6	109.4817	0.036	6	109.3688	1.443	18911	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:O-1:	C-4:	C-4:	C(C[5]C[5]N[5])(H)2(O)	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]N[5])(H)2(O)	H(CC[5]HO)	H(CC[5]HO)	107.9665	0.265	2	107.9665	0.070	2	107.9665	0.070	2	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:Br-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(Br)(H)2	H(CC[5a]BrH)	H(CC[5a]BrH)	C(C[5a]C[5a,6a]C[5a])(Br)(H)2	H(CC[5a]BrH)	H(CC[5a]BrH)	108.0620	0.117	2	108.0620	0.014	2	107.9940	0.013	12	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:Br-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(Br)(H)2	H(CC[5a]BrH)	H(CC[5a]BrH)	C(C[5a]C[5a]N[5a])(Br)(H)2	H(CC[5a]BrH)	H(CC[5a]BrH)	107.9953	0.110	6	107.9953	0.012	6	107.9940	0.013	12	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:Br-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(Br)(H)2	H(CC[5a]BrH)	H(CC[5a]BrH)	C(C[5a]C[5a]O[5a])(Br)(H)2	H(CC[5a]BrH)	H(CC[5a]BrH)	107.9245	0.177	2	107.9245	0.032	2	107.9940	0.013	12	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:Br-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(Br)(H)2	H(CC[5a]BrH)	H(CC[5a]BrH)	C(C[5a]C[5a]S[5a])(Br)(H)2	H(CC[5a]BrH)	H(CC[5a]BrH)	108.0890	0.000	1	108.0890	0.000	1	107.9940	0.013	12	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:Br-1:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]O[5a])(Br)(H)2	H(CC[5a]BrH)	H(CC[5a]BrH)	C(C[5a]N[5a]O[5a])(Br)(H)2	H(CC[5a]BrH)	H(CC[5a]BrH)	107.8940	0.000	1	107.8940	0.000	1	107.9940	0.013	12	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]N[5a])(Cl)(H)2	H(CC[5a]ClH)	H(CC[5a]ClH)	C(C[5a]C[5a,6a]N[5a])(Cl)(H)2	H(CC[5a]ClH)	H(CC[5a]ClH)	108.0653	0.138	3	108.0653	0.019	3	108.2083	0.308	27	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(Cl)(H)2	H(CC[5a]ClH)	H(CC[5a]ClH)	C(C[5a]C[5a]2)(Cl)(H)2	H(CC[5a]ClH)	H(CC[5a]ClH)	108.6900	1.073	2	108.6900	1.152	2	108.2083	0.308	27	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(Cl)(H)2	H(CC[5a]ClH)	H(CC[5a]ClH)	C(C[5a]C[5a]N[5a])(Cl)(H)2	H(CC[5a]ClH)	H(CC[5a]ClH)	108.6844	1.031	5	108.6844	1.063	5	108.2083	0.308	27	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(Cl)(H)2	H(CC[5a]ClH)	H(CC[5a]ClH)	C(C[5a]C[5a]O[5a])(Cl)(H)2	H(CC[5a]ClH)	H(CC[5a]ClH)	108.0610	0.000	1	108.0610	0.000	1	108.2083	0.308	27	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(Cl)(H)2	H(CC[5a]ClH)	H(CC[5a]ClH)	C(C[5a]C[5a]S[5a])(Cl)(H)2	H(CC[5a]ClH)	H(CC[5a]ClH)	107.8720	0.000	1	107.8720	0.000	1	108.2083	0.308	27	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6a]N[5a])(Cl)(H)2	H(CC[5a]ClH)	H(CC[5a]ClH)	C(C[5a]N[5a,6a]N[5a])(Cl)(H)2	H(CC[5a]ClH)	H(CC[5a]ClH)	107.9690	0.055	2	107.9690	0.003	2	108.2083	0.308	27	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(Cl)(H)2	H(CC[5a]ClH)	H(CC[5a]ClH)	C(C[5a]N[5a]2)(Cl)(H)2	H(CC[5a]ClH)	H(CC[5a]ClH)	107.9863	0.129	3	107.9863	0.017	3	108.2083	0.308	27	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]O[5a])(Cl)(H)2	H(CC[5a]ClH)	H(CC[5a]ClH)	C(C[5a]N[5a]O[5a])(Cl)(H)2	H(CC[5a]ClH)	H(CC[5a]ClH)	108.0430	0.191	8	108.0430	0.036	8	108.2083	0.308	27	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]S[5a])(Cl)(H)2	H(CC[5a]ClH)	H(CC[5a]ClH)	C(C[5a]N[5a]S[5a])(Cl)(H)2	H(CC[5a]ClH)	H(CC[5a]ClH)	108.2260	0.093	2	108.2260	0.009	2	108.2083	0.308	27	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:F-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)(H)2	H(CC[5a]FH)	H(CC[5a]FH)	C(C[5a]C[5a]N[5a])(F)(H)2	H(CC[5a]FH)	H(CC[5a]FH)	108.0100	0.000	1	108.0100	0.000	1	108.0100	0.000	1	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5,5a]C[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]C[5,5a]C[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.4641	0.353	39	109.4641	0.125	39	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5,5a]N[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]C[5,5a]N[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.3603	0.245	11	109.3603	0.060	11	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5,5a]O[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]C[5,5a]O[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	105.4427	9.071	3	105.4427	82.286	3	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,5a]C[5a,6a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]C[5a,5a]C[5a,6a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.4827	0.030	3	109.4827	0.001	3	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,5a]C[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]C[5a,5a]C[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.4785	0.050	55	109.4785	0.003	55	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,5a]N[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]C[5a,5a]N[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.4627	0.046	15	109.4627	0.002	15	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6,6]N[5a,6])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]C[5a,6,6]N[5a,6])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.4793	0.109	3	109.4793	0.012	3	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6]2)(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]C[5a,6]2)(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.4690	0.049	2	109.4690	0.002	2	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6]C[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]C[5a,6]C[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.4218	0.901	1021	109.4218	0.813	1021	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6]N[5,5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]C[5a,6]N[5,5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.4690	0.052	3	109.4690	0.003	3	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6]N[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]C[5a,6]N[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.4008	1.009	213	109.4008	1.018	213	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6]O[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]C[5a,6]O[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.4696	0.034	21	109.4696	0.001	21	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6]S[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]C[5a,6]S[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.4735	0.051	11	109.4735	0.003	11	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]2)(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]C[5a,6a]2)(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.4721	0.040	23	109.4721	0.002	23	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5,5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]C[5a,6a]C[5,5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.2819	3.416	31	109.2819	11.666	31	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a,6])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a,6])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.0867	1.160	89	109.0867	1.346	89	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.3192	1.219	486	109.3192	1.486	486	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]N[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]C[5a,6a]N[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.4480	0.350	306	109.4480	0.123	306	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]S[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]C[5a,6a]S[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.4729	0.051	51	109.4729	0.003	51	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]C[5a]2)(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.3216	1.366	1448	109.3216	1.866	1448	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]C[5a]N[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.3157	1.311	4900	109.3157	1.718	4900	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]C[5a]O[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.3529	1.411	1174	109.3529	1.991	1174	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]C[5a]S[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.4166	0.896	1474	109.4166	0.803	1474	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5,5a]C[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]N[5,5a]C[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.3507	1.520	20	109.3507	2.311	20	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,5a]C[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]N[5a,5a]C[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.2682	1.978	32	109.2682	3.914	32	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,5a]N[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]N[5a,5a]N[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.4800	0.031	6	109.4800	0.001	6	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6,6]C[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]N[5a,6,6]C[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.4642	0.056	4	109.4642	0.003	4	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6,6a]C[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]N[5a,6,6a]C[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.4963	0.051	3	109.4963	0.003	3	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6]C[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]N[5a,6]C[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.4112	0.720	974	109.4112	0.519	974	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6]N[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]N[5a,6]N[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.4778	0.051	13	109.4778	0.003	13	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6a]C[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]N[5a,6a]C[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.4752	0.383	20	109.4752	0.147	20	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6a]N[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]N[5a,6a]N[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.4709	0.039	15	109.4709	0.002	15	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]N[5a]2)(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.2737	2.710	698	109.2737	7.342	698	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]O[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]N[5a]O[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.3590	0.897	133	109.3590	0.805	133	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]S[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	C(C[5a]N[5a]S[5a])(H)3	H(CC[5a]HH)	H(CC[5a]HH)	109.3234	2.557	129	109.3234	6.536	129	109.3493	1.779	13429	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6,6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4397	1.051	95	109.4397	1.104	95	109.4552	2.709	122	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6,6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]N[6,6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[3x6]N[6,6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4475	0.064	4	109.4475	0.004	4	109.4552	2.709	122	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6,6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[4,6,6]C[6,6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[4,6,6]C[6,6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.5223	3.346	21	109.5223	11.195	21	109.4552	2.709	122	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6,6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6,6]C[3x6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5,6,6]C[3x6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4990	0.031	2	109.4990	0.001	2	109.4552	2.709	122	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:Br-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(Br)(H)2	H(CC[6]BrH)	H(CC[6]BrH)	C(C[6]C[6]2)(Br)(H)2	H(CC[6]BrH)	H(CC[6]BrH)	110.2004	4.963	5	110.2004	24.631	5	108.6662	5.438	22	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:Br-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(Br)(H)2	H(CC[6]BrH)	H(CC[6]BrH)	C(C[6]C[6]N[6])(Br)(H)2	H(CC[6]BrH)	H(CC[6]BrH)	108.2150	0.168	17	108.2150	0.028	17	108.6662	5.438	22	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6])(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	C(C[6]C[5,6]C[6])(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	108.2670	0.000	1	108.2670	0.000	1	108.3815	0.807	20	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	C(C[6]C[6]2)(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	108.4983	1.286	10	108.4983	1.653	10	108.3815	0.807	20	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	C(C[6]C[6]N[6])(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	108.2686	0.161	7	108.2686	0.026	7	108.3815	0.807	20	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6])(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	C(C[6]C[6]O[6])(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	108.1450	0.000	1	108.1450	0.000	1	108.3815	0.807	20	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]2)(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	C(C[6]N[6]2)(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	108.3550	0.000	1	108.3550	0.000	1	108.3815	0.807	20	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:F-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(F)(H)2	H(CC[6]FH)	H(CC[6]FH)	C(C[6]C[6]N[6])(F)(H)2	H(CC[6]FH)	H(CC[6]FH)	108.1868	0.241	4	108.1868	0.058	4	108.1868	0.058	4	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]B[4x3,4,5x5,22x6]C[6,6a])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]B[4x3,4,5x5,22x6]C[6,6a])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4340	0.054	2	109.4340	0.003	2	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]B[6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]B[6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4430	0.020	2	109.4430	0.000	2	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,5,6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[3,5,6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4903	0.047	3	109.4903	0.002	3	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,6,6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[3,6,6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4868	0.073	8	109.4868	0.005	8	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[3,6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4765	0.041	4	109.4765	0.002	4	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[3x3,4,3x5,15x6]C[6,6a])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[3x3,4,3x5,15x6]C[6,6a])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4590	0.066	2	109.4590	0.004	2	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[3x6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[3x6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.1830	0.846	14	109.1830	0.716	14	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[4,6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[4,6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4926	0.052	5	109.4926	0.003	5	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[4,6]N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[4,6]N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	108.8501	1.236	9	108.8501	1.529	9	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,5,6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,5,6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4453	0.027	3	109.4453	0.001	3	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6,6]C[5,6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6,6]C[5,6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4846	0.042	8	109.4846	0.002	8	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6,6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6,6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4665	0.037	6	109.4665	0.001	6	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.3031	0.782	49	109.3031	0.612	49	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6,6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]C[6,6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4636	0.021	5	109.4636	0.000	5	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.2795	2.450	571	109.2795	6.002	571	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]N[5,6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]N[5,6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4764	0.028	8	109.4764	0.001	8	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4850	0.059	8	109.4850	0.004	8	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]O[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]O[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4769	0.055	13	109.4769	0.003	13	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]S[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]S[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4526	0.065	5	109.4526	0.004	5	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5a,6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4780	0.040	43	109.4780	0.002	43	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[5,6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5a,6]C[5,6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4783	0.055	3	109.4783	0.003	3	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5a,6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4701	0.054	25	109.4701	0.003	25	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5a,6]N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4534	0.057	15	109.4534	0.003	15	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5x3,5x5,21x6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5x3,5x5,21x6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4560	0.072	3	109.4560	0.005	3	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	107.0146	2.719	5	107.0146	7.394	5	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4622	1.141	281	109.4622	1.302	281	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6]N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	108.7407	1.120	13	108.7407	1.255	13	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]O[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6]O[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	108.7655	1.591	14	108.7655	2.533	14	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[5,6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]C[5,6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4813	0.037	3	109.4813	0.001	3	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.3338	0.761	427	109.3338	0.580	427	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.2326	0.892	55	109.2326	0.795	55	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.2737	1.915	6934	109.2737	3.668	6934	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.3277	1.503	7101	109.3277	2.260	7101	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]O[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.3214	2.980	649	109.3214	8.883	649	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]P[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]P[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4856	0.071	7	109.4856	0.005	7	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]S[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]S[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4883	0.041	23	109.4883	0.002	23	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[4,6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[4,6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.2736	0.701	18	109.2736	0.492	18	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[5,6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[5,6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.3900	0.757	171	109.3900	0.573	171	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[5,6]N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[5,6]N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	110.0213	3.916	3	110.0213	15.338	3	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[5a,6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[5a,6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4719	0.071	29	109.4719	0.005	29	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[6,6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[6,6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4724	0.039	22	109.4724	0.002	22	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[6,6]N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[6,6]N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4820	0.018	3	109.4820	0.000	3	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[6,6a]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[6,6a]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4610	0.048	6	109.4610	0.002	6	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[6,6a]O[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[6,6a]O[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4647	0.023	3	109.4647	0.001	3	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.1909	2.641	172	109.1909	6.977	172	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]O[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[6]O[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.2325	1.678	24	109.2325	2.816	24	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]S[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[6]S[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4885	0.075	6	109.4885	0.006	6	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]Nb[4x6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]Nb[4x6]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4623	0.078	3	109.4623	0.006	3	109.3051	3.152	16786	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:O-1:	C-4:	C-4:	C(C[6]C[6]2)(H)2(O)	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2)(H)2(O)	H(CC[6]HO)	H(CC[6]HO)	96.9410	0.000	2	96.9410	0.000	2	96.9410	0.000	2	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:Br-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(Br)(H)2	H(CC[6a]BrH)	H(CC[6a]BrH)	C(C[6a]C[5a,6a]C[6a])(Br)(H)2	H(CC[6a]BrH)	H(CC[6a]BrH)	109.4775	0.035	2	109.4775	0.001	2	108.2565	1.460	169	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:Br-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(Br)(H)2	H(CC[6a]BrH)	H(CC[6a]BrH)	C(C[6a]C[6,6a]C[6a])(Br)(H)2	H(CC[6a]BrH)	H(CC[6a]BrH)	111.3180	0.000	1	111.3180	0.000	1	108.2565	1.460	169	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:Br-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(Br)(H)2	H(CC[6a]BrH)	H(CC[6a]BrH)	C(C[6a]C[6a,6a]C[6a])(Br)(H)2	H(CC[6a]BrH)	H(CC[6a]BrH)	108.0448	0.215	12	108.0448	0.046	12	108.2565	1.460	169	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:Br-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	H(CC[6a]BrH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	H(CC[6a]BrH)	H(CC[6a]BrH)	108.2484	1.289	140	108.2484	1.662	140	108.2565	1.460	169	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:Br-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(Br)(H)2	H(CC[6a]BrH)	H(CC[6a]BrH)	C(C[6a]C[6a]N[6a])(Br)(H)2	H(CC[6a]BrH)	H(CC[6a]BrH)	108.1264	0.218	14	108.1264	0.048	14	108.2565	1.460	169	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(Cl)(H)2	H(CC[6a]ClH)	H(CC[6a]ClH)	C(C[6a]C[6a,6a]C[6a])(Cl)(H)2	H(CC[6a]ClH)	H(CC[6a]ClH)	108.9275	2.608	8	108.9275	6.800	8	108.4654	2.764	73	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	H(CC[6a]ClH)	H(CC[6a]ClH)	C(C[6a]C[6a]2)(Cl)(H)2	H(CC[6a]ClH)	H(CC[6a]ClH)	108.4486	1.598	59	108.4486	2.553	59	108.4654	2.764	73	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(Cl)(H)2	H(CC[6a]ClH)	H(CC[6a]ClH)	C(C[6a]C[6a]N[6a])(Cl)(H)2	H(CC[6a]ClH)	H(CC[6a]ClH)	108.0100	0.301	5	108.0100	0.091	5	108.4654	2.764	73	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]O[6a])(Cl)(H)2	H(CC[6a]ClH)	H(CC[6a]ClH)	C(C[6a]C[6a]O[6a])(Cl)(H)2	H(CC[6a]ClH)	H(CC[6a]ClH)	108.0350	0.000	1	108.0350	0.000	1	108.4654	2.764	73	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:F-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(F)(H)2	H(CC[6a]FH)	H(CC[6a]FH)	C(C[6a]C[6a]2)(F)(H)2	H(CC[6a]FH)	H(CC[6a]FH)	107.7220	0.000	1	107.7220	0.000	1	108.3445	0.775	2	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:F-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)(H)2	H(CC[6a]FH)	H(CC[6a]FH)	C(C[6a]C[6a]N[6a])(F)(H)2	H(CC[6a]FH)	H(CC[6a]FH)	108.9670	0.000	1	108.9670	0.000	1	108.3445	0.775	2	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]B[6a]2)(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]B[6a]2)(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.4858	0.039	5	109.4858	0.002	5	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]B[6a]C[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]B[6a]C[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	107.6692	4.940	12	107.6692	24.402	12	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[4,6a]2)(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]C[4,6a]2)(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.4757	0.030	12	109.4757	0.001	12	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[4,6a]C[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]C[4,6a]C[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	107.5310	3.616	61	107.5310	13.078	61	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[4a,6a]C[6a,6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]C[4a,6a]C[6a,6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.4753	0.031	12	109.4753	0.001	12	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6,6a]C[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]C[5,6,6a]C[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.4627	0.032	4	109.4627	0.001	4	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]2)(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]C[5,6a]2)(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.4587	0.029	8	109.4587	0.001	8	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6,6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6,6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	106.9345	2.592	6	106.9345	6.719	6	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.3117	1.314	834	109.3117	1.726	834	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]N[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]C[5,6a]N[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.4809	0.040	52	109.4809	0.002	52	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]2)(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]C[5a,6a]2)(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.4712	0.028	8	109.4712	0.001	8	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[5,6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[5,6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.4600	0.045	2	109.4600	0.002	2	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6,6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6,6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.4746	0.035	5	109.4746	0.001	5	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a,6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a,6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.4504	0.026	8	109.4504	0.001	8	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.3921	1.090	730	109.3921	1.189	730	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]N[5,6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]C[5a,6a]N[5,6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.4830	0.030	2	109.4830	0.001	2	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]C[5a,6a]N[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.0727	1.573	52	109.0727	2.475	52	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6,6a]C[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]C[6,6,6a]C[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.6835	0.524	20	109.6835	0.274	20	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.2782	1.776	833	109.2782	3.154	833	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]N[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]C[6,6a]N[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.3767	0.942	47	109.3767	0.887	47	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]C[6a,6a]2)(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.3491	0.628	63	109.3491	0.395	63	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[5,6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[5,6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.4721	0.029	21	109.4721	0.001	21	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6,6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6,6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.4691	0.036	16	109.4691	0.001	16	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.2066	1.473	1199	109.2066	2.169	1199	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]C[6a,6a]N[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.3784	0.368	44	109.3784	0.135	44	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.3338	1.383	95262	109.3338	1.914	95262	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.3268	1.935	4519	109.3268	3.743	4519	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.2222	1.685	291	109.2222	2.838	291	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]S[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]C[6a]S[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.4862	0.058	6	109.4862	0.003	6	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]N[5,6a]C[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]N[5,6a]C[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.4819	0.037	25	109.4819	0.001	25	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]N[5a,6a]C[5,6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]N[5a,6a]C[5,6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.4760	0.083	2	109.4760	0.007	2	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]N[5a,6a]C[6,6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]N[5a,6a]C[6,6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.4595	0.049	8	109.4595	0.002	8	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]N[5a,6a]C[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.3967	0.626	137	109.3967	0.391	137	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]N[5a,6a]N[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]N[5a,6a]N[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.4870	0.044	11	109.4870	0.002	11	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]N[6,6a]C[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]N[6,6a]C[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.4720	0.027	3	109.4720	0.001	3	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]N[6a,6a]C[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]N[6a,6a]C[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.4743	0.038	7	109.4743	0.001	7	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]N[6a,6a]N[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]N[6a,6a]N[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.4890	0.006	2	109.4890	0.000	2	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]N[6a]2)(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.4317	1.616	203	109.4317	2.613	203	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(C[6a]N[6a]O[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	C(C[6a]N[6a]O[6a])(H)3	H(CC[6a]HH)	H(CC[6a]HH)	109.6861	3.869	9	109.6861	14.967	9	109.3307	2.008	104541	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:I-1:	C-4:	C-4:	C(C[6a]C[6a]2)(H)2(I)	H(CC[6a]HI)	H(CC[6a]HI)	C(C[6a]C[6a]2)(H)2(I)	H(CC[6a]HI)	H(CC[6a]HI)	108.3888	0.730	5	108.3888	0.533	5	108.3888	0.533	5	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:O-1:	C-4:	C-4:	C(C[6a]C[6a]2)(H)2(O)	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(H)2(O)	H(CC[6a]HO)	H(CC[6a]HO)	108.8819	0.866	7	108.8819	0.749	7	109.3194	1.471	14	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:O-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)2(O)	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(H)2(O)	H(CC[6a]HO)	H(CC[6a]HO)	109.7570	1.411	7	109.7570	1.991	7	109.3194	1.471	14	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Ga-3:H-1:H-1:H-1:	C-4:	C-4:	C(GaCC)(H)3	H(CGaHH)	H(CGaHH)	C(GaCC)(H)3	H(CGaHH)	H(CGaHH)	109.4726	0.044	26	109.4726	0.002	26	109.2988	1.563	92	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Ga-3:H-1:H-1:H-1:	C-4:	C-4:	C(GaC[5]2)(H)3	H(CGaHH)	H(CGaHH)	C(GaC[5]2)(H)3	H(CGaHH)	H(CGaHH)	109.4597	0.054	3	109.4597	0.003	3	109.2988	1.563	92	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Ga-3:H-1:H-1:H-1:	C-4:	C-4:	C(GaC[6a]2)(H)3	H(CGaHH)	H(CGaHH)	C(GaC[6a]2)(H)3	H(CGaHH)	H(CGaHH)	107.6992	3.816	9	107.6992	14.563	9	109.2988	1.563	92	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Ga-3:H-1:H-1:H-1:	C-4:	C-4:	C(GaC[6a]C)(H)3	H(CGaHH)	H(CGaHH)	C(GaC[6a]C)(H)3	H(CGaHH)	H(CGaHH)	109.4690	0.041	37	109.4690	0.002	37	109.2988	1.563	92	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Ga-3:H-1:H-1:H-1:	C-4:	C-4:	C(GaC[6a]C[6])(H)3	H(CGaHH)	H(CGaHH)	C(GaC[6a]C[6])(H)3	H(CGaHH)	H(CGaHH)	109.4667	0.051	3	109.4667	0.003	3	109.2988	1.563	92	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Ga-3:H-1:H-1:H-1:	C-4:	C-4:	C(GaIrC)(H)3	H(CGaHH)	H(CGaHH)	C(GaIrC)(H)3	H(CGaHH)	H(CGaHH)	109.4865	0.072	8	109.4865	0.005	8	109.2988	1.563	92	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Ga-3:H-1:H-1:H-1:	C-4:	C-4:	C(GaOO)(H)3	H(CGaHH)	H(CGaHH)	C(GaOO)(H)3	H(CGaHH)	H(CGaHH)	109.4923	0.021	3	109.4923	0.000	3	109.2988	1.563	92	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Ga-3:H-1:H-1:H-1:	C-4:	C-4:	C(GaSnC)(H)3	H(CGaHH)	H(CGaHH)	C(GaSnC)(H)3	H(CGaHH)	H(CGaHH)	109.4700	0.036	3	109.4700	0.001	3	109.2988	1.563	92	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Ge-3:H-1:H-1:H-1:	C-4:	C-4:	C(GeCW)(H)3	H(CGeHH)	H(CGeHH)	C(GeCW)(H)3	H(CGeHH)	H(CGeHH)	109.4765	0.074	4	109.4765	0.005	4	109.4765	0.005	4	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	In-3:H-1:H-1:H-1:	C-4:	C-4:	C(InCC)(H)3	H(CInHH)	H(CInHH)	C(InCC)(H)3	H(CInHH)	H(CInHH)	109.4597	0.197	30	109.4597	0.039	30	109.4662	0.024	49	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	In-3:H-1:H-1:H-1:	C-4:	C-4:	C(InCN)(H)3	H(CInHH)	H(CInHH)	C(InCN)(H)3	H(CInHH)	H(CInHH)	109.4805	0.033	6	109.4805	0.001	6	109.4662	0.024	49	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	In-3:H-1:H-1:H-1:	C-4:	C-4:	C(InCO)(H)3	H(CInHH)	H(CInHH)	C(InCO)(H)3	H(CInHH)	H(CInHH)	109.4743	0.030	3	109.4743	0.001	3	109.4662	0.024	49	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	In-3:H-1:H-1:H-1:	C-4:	C-4:	C(InC[5]C)(H)3	H(CInHH)	H(CInHH)	C(InC[5]C)(H)3	H(CInHH)	H(CInHH)	109.4928	0.034	4	109.4928	0.001	4	109.4662	0.024	49	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	In-3:H-1:H-1:H-1:	C-4:	C-4:	C(InN[5a]C)(H)3	H(CInHH)	H(CInHH)	C(InN[5a]C)(H)3	H(CInHH)	H(CInHH)	109.4733	0.024	4	109.4733	0.001	4	109.4662	0.024	49	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	In-3:H-1:H-1:H-1:	C-4:	C-4:	C(InSS)(H)3	H(CInHH)	H(CInHH)	C(InSS)(H)3	H(CInHH)	H(CInHH)	109.4430	0.055	2	109.4430	0.003	2	109.4662	0.024	49	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	In[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(In[6]C[6]2)(H)3	H(CIn[6]HH)	H(CIn[6]HH)	C(In[6]C[6]2)(H)3	H(CIn[6]HH)	H(CIn[6]HH)	109.4940	0.033	3	109.4940	0.001	3	109.4940	0.001	3	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:C-1:H-1:H-1:	C-4:	C-4:	C(NCC)(C)(H)2	H(CCHN)	H(CCHN)	C(NCC)(C)(H)2	H(CCHN)	H(CCHN)	107.8545	0.172	2	107.8545	0.030	2	107.8545	0.030	2	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(Cl)(H)2	H(CClHN)	H(CClHN)	C(NC[6a]C)(Cl)(H)2	H(CClHN)	H(CClHN)	107.5310	0.000	1	107.5310	0.000	1	107.5310	0.000	1	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NAlC)(H)3	H(CHHN)	H(CHHN)	C(NAlC)(H)3	H(CHHN)	H(CHHN)	109.5043	0.611	32	109.5043	0.374	32	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NAlN)(H)3	H(CHHN)	H(CHHN)	C(NAlN)(H)3	H(CHHN)	H(CHHN)	109.4645	0.020	4	109.4645	0.000	4	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NAsC)(H)3	H(CHHN)	H(CHHN)	C(NAsC)(H)3	H(CHHN)	H(CHHN)	109.5067	0.058	4	109.5067	0.003	4	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NBC)(H)3	H(CHHN)	H(CHHN)	C(NBC)(H)3	H(CHHN)	H(CHHN)	109.4284	0.568	262	109.4284	0.323	262	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NBP)(H)3	H(CHHN)	H(CHHN)	C(NBP)(H)3	H(CHHN)	H(CHHN)	109.4483	0.057	3	109.4483	0.003	3	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NB[5,5]C)(H)3	H(CHHN)	H(CHHN)	C(NB[5,5]C)(H)3	H(CHHN)	H(CHHN)	109.4737	0.022	3	109.4737	0.000	3	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NB[5]C)(H)3	H(CHHN)	H(CHHN)	C(NB[5]C)(H)3	H(CHHN)	H(CHHN)	109.4775	0.041	16	109.4775	0.002	16	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NB[5a]C)(H)3	H(CHHN)	H(CHHN)	C(NB[5a]C)(H)3	H(CHHN)	H(CHHN)	109.4767	0.058	4	109.4767	0.003	4	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NB[5x3]C)(H)3	H(CHHN)	H(CHHN)	C(NB[5x3]C)(H)3	H(CHHN)	H(CHHN)	109.0933	6.564	12	109.0933	43.084	12	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NB[6,6]C)(H)3	H(CHHN)	H(CHHN)	C(NB[6,6]C)(H)3	H(CHHN)	H(CHHN)	109.4702	0.066	19	109.4702	0.004	19	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NB[6,6]P)(H)3	H(CHHN)	H(CHHN)	C(NB[6,6]P)(H)3	H(CHHN)	H(CHHN)	109.4563	0.040	3	109.4563	0.002	3	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NB[6]C)(H)3	H(CHHN)	H(CHHN)	C(NB[6]C)(H)3	H(CHHN)	H(CHHN)	108.5916	2.716	28	108.5916	7.377	28	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NB[6a]C)(H)3	H(CHHN)	H(CHHN)	C(NB[6a]C)(H)3	H(CHHN)	H(CHHN)	109.4656	0.040	33	109.4656	0.002	33	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NCC)(H)3	H(CHHN)	H(CHHN)	C(NCC)(H)3	H(CHHN)	H(CHHN)	109.4304	1.274	20117	109.4304	1.623	20117	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NCH)(H)3	H(CHHN)	H(CHHN)	C(NCH)(H)3	H(CHHN)	H(CHHN)	109.3250	1.837	1672	109.3250	3.374	1672	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NCN)(H)3	H(CHHN)	H(CHHN)	C(NCN)(H)3	H(CHHN)	H(CHHN)	109.5002	1.328	539	109.5002	1.765	539	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NCO)(H)3	H(CHHN)	H(CHHN)	C(NCO)(H)3	H(CHHN)	H(CHHN)	109.6854	1.727	203	109.6854	2.984	203	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NCP)(H)3	H(CHHN)	H(CHHN)	C(NCP)(H)3	H(CHHN)	H(CHHN)	109.3230	1.589	1062	109.3230	2.524	1062	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NCS)(H)3	H(CHHN)	H(CHHN)	C(NCS)(H)3	H(CHHN)	H(CHHN)	109.4105	1.003	476	109.4105	1.007	476	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NCV)(H)3	H(CHHN)	H(CHHN)	C(NCV)(H)3	H(CHHN)	H(CHHN)	109.4701	0.057	7	109.4701	0.003	7	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NCW)(H)3	H(CHHN)	H(CHHN)	C(NCW)(H)3	H(CHHN)	H(CHHN)	109.4960	0.027	3	109.4960	0.001	3	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[3]C)(H)3	H(CHHN)	H(CHHN)	C(NC[3]C)(H)3	H(CHHN)	H(CHHN)	109.4585	0.042	29	109.4585	0.002	29	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[3]S)(H)3	H(CHHN)	H(CHHN)	C(NC[3]S)(H)3	H(CHHN)	H(CHHN)	109.4747	0.079	3	109.4747	0.006	3	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[4]C)(H)3	H(CHHN)	H(CHHN)	C(NC[4]C)(H)3	H(CHHN)	H(CHHN)	109.4379	1.042	54	109.4379	1.086	54	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[4a]C)(H)3	H(CHHN)	H(CHHN)	C(NC[4a]C)(H)3	H(CHHN)	H(CHHN)	109.2568	2.449	38	109.2568	5.996	38	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[4a]C[6a])(H)3	H(CHHN)	H(CHHN)	C(NC[4a]C[6a])(H)3	H(CHHN)	H(CHHN)	109.4816	0.021	5	109.4816	0.000	5	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[4a]H)(H)3	H(CHHN)	H(CHHN)	C(NC[4a]H)(H)3	H(CHHN)	H(CHHN)	109.4664	0.027	5	109.4664	0.001	5	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5,6]C)(H)3	H(CHHN)	H(CHHN)	C(NC[5,6]C)(H)3	H(CHHN)	H(CHHN)	109.4647	0.034	6	109.4647	0.001	6	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5,6]H)(H)3	H(CHHN)	H(CHHN)	C(NC[5,6]H)(H)3	H(CHHN)	H(CHHN)	109.5099	0.072	8	109.5099	0.005	8	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5]2)(H)3	H(CHHN)	H(CHHN)	C(NC[5]2)(H)3	H(CHHN)	H(CHHN)	109.4393	0.070	3	109.4393	0.005	3	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5]C)(H)3	H(CHHN)	H(CHHN)	C(NC[5]C)(H)3	H(CHHN)	H(CHHN)	109.4491	0.365	470	109.4491	0.133	470	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5]C[6])(H)3	H(CHHN)	H(CHHN)	C(NC[5]C[6])(H)3	H(CHHN)	H(CHHN)	109.5070	0.029	3	109.5070	0.001	3	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5]H)(H)3	H(CHHN)	H(CHHN)	C(NC[5]H)(H)3	H(CHHN)	H(CHHN)	109.4561	0.045	16	109.4561	0.002	16	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5]N)(H)3	H(CHHN)	H(CHHN)	C(NC[5]N)(H)3	H(CHHN)	H(CHHN)	109.4633	0.095	37	109.4633	0.009	37	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5]O)(H)3	H(CHHN)	H(CHHN)	C(NC[5]O)(H)3	H(CHHN)	H(CHHN)	109.4874	0.041	5	109.4874	0.002	5	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5]P)(H)3	H(CHHN)	H(CHHN)	C(NC[5]P)(H)3	H(CHHN)	H(CHHN)	109.4880	0.000	1	109.4880	0.000	1	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5]S)(H)3	H(CHHN)	H(CHHN)	C(NC[5]S)(H)3	H(CHHN)	H(CHHN)	109.5482	1.139	36	109.5482	1.297	36	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5a]2)(H)3	H(CHHN)	H(CHHN)	C(NC[5a]2)(H)3	H(CHHN)	H(CHHN)	108.4970	0.515	2	108.4970	0.265	2	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5a]C)(H)3	H(CHHN)	H(CHHN)	C(NC[5a]C)(H)3	H(CHHN)	H(CHHN)	109.4876	0.143	178	109.4876	0.021	178	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5a]C[6a])(H)3	H(CHHN)	H(CHHN)	C(NC[5a]C[6a])(H)3	H(CHHN)	H(CHHN)	109.4704	0.038	10	109.4704	0.001	10	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5a]H)(H)3	H(CHHN)	H(CHHN)	C(NC[5a]H)(H)3	H(CHHN)	H(CHHN)	108.9924	1.807	34	108.9924	3.264	34	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5a]N)(H)3	H(CHHN)	H(CHHN)	C(NC[5a]N)(H)3	H(CHHN)	H(CHHN)	109.4913	0.753	38	109.4913	0.567	38	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5a]S)(H)3	H(CHHN)	H(CHHN)	C(NC[5a]S)(H)3	H(CHHN)	H(CHHN)	109.6965	0.786	47	109.6965	0.618	47	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6,6]C)(H)3	H(CHHN)	H(CHHN)	C(NC[6,6]C)(H)3	H(CHHN)	H(CHHN)	109.4611	0.040	20	109.4611	0.002	20	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6,6]H)(H)3	H(CHHN)	H(CHHN)	C(NC[6,6]H)(H)3	H(CHHN)	H(CHHN)	109.4585	0.019	2	109.4585	0.000	2	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]2)(H)3	H(CHHN)	H(CHHN)	C(NC[6]2)(H)3	H(CHHN)	H(CHHN)	109.4569	0.493	62	109.4569	0.243	62	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]C)(H)3	H(CHHN)	H(CHHN)	C(NC[6]C)(H)3	H(CHHN)	H(CHHN)	109.3695	1.388	2225	109.3695	1.928	2225	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]H)(H)3	H(CHHN)	H(CHHN)	C(NC[6]H)(H)3	H(CHHN)	H(CHHN)	109.4623	0.482	143	109.4623	0.232	143	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]Ir)(H)3	H(CHHN)	H(CHHN)	C(NC[6]Ir)(H)3	H(CHHN)	H(CHHN)	109.4883	0.017	3	109.4883	0.000	3	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]Mn)(H)3	H(CHHN)	H(CHHN)	C(NC[6]Mn)(H)3	H(CHHN)	H(CHHN)	109.4973	0.033	3	109.4973	0.001	3	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]N)(H)3	H(CHHN)	H(CHHN)	C(NC[6]N)(H)3	H(CHHN)	H(CHHN)	109.7514	2.761	64	109.7514	7.622	64	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]Ni)(H)3	H(CHHN)	H(CHHN)	C(NC[6]Ni)(H)3	H(CHHN)	H(CHHN)	109.4855	0.022	2	109.4855	0.000	2	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]O)(H)3	H(CHHN)	H(CHHN)	C(NC[6]O)(H)3	H(CHHN)	H(CHHN)	110.1098	8.614	10	110.1098	74.197	10	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]Os)(H)3	H(CHHN)	H(CHHN)	C(NC[6]Os)(H)3	H(CHHN)	H(CHHN)	109.4373	0.010	3	109.4373	0.000	3	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]P)(H)3	H(CHHN)	H(CHHN)	C(NC[6]P)(H)3	H(CHHN)	H(CHHN)	109.2208	0.985	94	109.2208	0.970	94	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]P[6])(H)3	H(CHHN)	H(CHHN)	C(NC[6]P[6])(H)3	H(CHHN)	H(CHHN)	108.9190	0.450	3	108.9190	0.202	3	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]Pt)(H)3	H(CHHN)	H(CHHN)	C(NC[6]Pt)(H)3	H(CHHN)	H(CHHN)	109.4742	0.025	6	109.4742	0.001	6	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]Rh)(H)3	H(CHHN)	H(CHHN)	C(NC[6]Rh)(H)3	H(CHHN)	H(CHHN)	106.2650	3.437	3	106.2650	11.814	3	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]Ru)(H)3	H(CHHN)	H(CHHN)	C(NC[6]Ru)(H)3	H(CHHN)	H(CHHN)	109.4830	0.013	2	109.4830	0.000	2	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]S)(H)3	H(CHHN)	H(CHHN)	C(NC[6]S)(H)3	H(CHHN)	H(CHHN)	109.4566	0.050	23	109.4566	0.003	23	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]Si)(H)3	H(CHHN)	H(CHHN)	C(NC[6]Si)(H)3	H(CHHN)	H(CHHN)	108.7485	3.961	49	108.7485	15.693	49	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]2)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]2)(H)3	H(CHHN)	H(CHHN)	109.4544	0.681	538	109.4544	0.463	538	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]Al)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]Al)(H)3	H(CHHN)	H(CHHN)	109.4745	0.084	2	109.4745	0.007	2	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]B)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]B)(H)3	H(CHHN)	H(CHHN)	108.1300	1.296	6	108.1300	1.680	6	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]B[5])(H)3	H(CHHN)	H(CHHN)	C(NC[6a]B[5])(H)3	H(CHHN)	H(CHHN)	109.4615	0.023	2	109.4615	0.001	2	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]C)(H)3	H(CHHN)	H(CHHN)	109.3492	1.620	8443	109.3492	2.626	8443	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]C[4])(H)3	H(CHHN)	H(CHHN)	C(NC[6a]C[4])(H)3	H(CHHN)	H(CHHN)	109.4340	0.046	3	109.4340	0.002	3	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]C[5])(H)3	H(CHHN)	H(CHHN)	C(NC[6a]C[5])(H)3	H(CHHN)	H(CHHN)	109.4730	0.049	29	109.4730	0.002	29	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]C[6])(H)3	H(CHHN)	H(CHHN)	C(NC[6a]C[6])(H)3	H(CHHN)	H(CHHN)	109.4782	0.056	75	109.4782	0.003	75	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]Fe)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]Fe)(H)3	H(CHHN)	H(CHHN)	109.4472	0.044	6	109.4472	0.002	6	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]H)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]H)(H)3	H(CHHN)	H(CHHN)	109.3766	1.673	300	109.3766	2.800	300	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]N)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]N)(H)3	H(CHHN)	H(CHHN)	109.5272	0.922	124	109.5272	0.850	124	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]N[5])(H)3	H(CHHN)	H(CHHN)	C(NC[6a]N[5])(H)3	H(CHHN)	H(CHHN)	109.7967	0.518	9	109.7967	0.268	9	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]N[5a])(H)3	H(CHHN)	H(CHHN)	C(NC[6a]N[5a])(H)3	H(CHHN)	H(CHHN)	109.4745	0.022	2	109.4745	0.000	2	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]N[6a])(H)3	H(CHHN)	H(CHHN)	C(NC[6a]N[6a])(H)3	H(CHHN)	H(CHHN)	109.4579	0.043	10	109.4579	0.002	10	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]Os)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]Os)(H)3	H(CHHN)	H(CHHN)	109.4400	0.047	6	109.4400	0.002	6	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]P)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]P)(H)3	H(CHHN)	H(CHHN)	109.4749	0.046	58	109.4749	0.002	58	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]Pt)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]Pt)(H)3	H(CHHN)	H(CHHN)	109.4840	0.067	8	109.4840	0.004	8	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]Rh)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]Rh)(H)3	H(CHHN)	H(CHHN)	109.4466	0.035	8	109.4466	0.001	8	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]Ru)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]Ru)(H)3	H(CHHN)	H(CHHN)	109.4890	0.034	6	109.4890	0.001	6	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]S)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]S)(H)3	H(CHHN)	H(CHHN)	109.4131	0.887	67	109.4131	0.787	67	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]Ti)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]Ti)(H)3	H(CHHN)	H(CHHN)	109.4653	0.124	3	109.4653	0.015	3	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]Zn)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]Zn)(H)3	H(CHHN)	H(CHHN)	109.4613	0.030	4	109.4613	0.001	4	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NClS)(H)3	H(CHHN)	H(CHHN)	C(NClS)(H)3	H(CHHN)	H(CHHN)	109.4790	0.057	2	109.4790	0.003	2	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NCoC)(H)3	H(CHHN)	H(CHHN)	C(NCoC)(H)3	H(CHHN)	H(CHHN)	109.5411	0.322	17	109.5411	0.103	17	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NCrC)(H)3	H(CHHN)	H(CHHN)	C(NCrC)(H)3	H(CHHN)	H(CHHN)	109.4605	0.039	15	109.4605	0.001	15	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NCuC)(H)3	H(CHHN)	H(CHHN)	C(NCuC)(H)3	H(CHHN)	H(CHHN)	109.4840	0.060	47	109.4840	0.004	47	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NFe2)(H)3	H(CHHN)	H(CHHN)	C(NFe2)(H)3	H(CHHN)	H(CHHN)	109.4553	0.081	3	109.4553	0.006	3	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NFeC)(H)3	H(CHHN)	H(CHHN)	C(NFeC)(H)3	H(CHHN)	H(CHHN)	109.4719	0.058	37	109.4719	0.003	37	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NFeN)(H)3	H(CHHN)	H(CHHN)	C(NFeN)(H)3	H(CHHN)	H(CHHN)	109.5135	0.043	2	109.5135	0.002	2	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NGaC)(H)3	H(CHHN)	H(CHHN)	C(NGaC)(H)3	H(CHHN)	H(CHHN)	109.4927	0.057	3	109.4927	0.003	3	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NGa[5,5]C)(H)3	H(CHHN)	H(CHHN)	C(NGa[5,5]C)(H)3	H(CHHN)	H(CHHN)	109.4772	0.038	5	109.4772	0.001	5	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NGa[6]C)(H)3	H(CHHN)	H(CHHN)	C(NGa[6]C)(H)3	H(CHHN)	H(CHHN)	109.4711	0.025	7	109.4711	0.001	7	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NGeC)(H)3	H(CHHN)	H(CHHN)	C(NGeC)(H)3	H(CHHN)	H(CHHN)	108.3401	3.610	16	108.3401	13.035	16	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NGe[4,5]C[6a])(H)3	H(CHHN)	H(CHHN)	C(NGe[4,5]C[6a])(H)3	H(CHHN)	H(CHHN)	109.5043	0.028	3	109.5043	0.001	3	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NGe[6]C)(H)3	H(CHHN)	H(CHHN)	C(NGe[6]C)(H)3	H(CHHN)	H(CHHN)	109.4480	0.027	2	109.4480	0.001	2	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NHH)(H)3	H(CHHN)	H(CHHN)	C(NHH)(H)3	H(CHHN)	H(CHHN)	109.4268	0.294	46	109.4268	0.087	46	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NHN)(H)3	H(CHHN)	H(CHHN)	C(NHN)(H)3	H(CHHN)	H(CHHN)	109.4785	0.039	17	109.4785	0.002	17	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NHP)(H)3	H(CHHN)	H(CHHN)	C(NHP)(H)3	H(CHHN)	H(CHHN)	109.4668	0.050	15	109.4668	0.002	15	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NHS)(H)3	H(CHHN)	H(CHHN)	C(NHS)(H)3	H(CHHN)	H(CHHN)	109.4743	0.038	19	109.4743	0.001	19	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NIrC)(H)3	H(CHHN)	H(CHHN)	C(NIrC)(H)3	H(CHHN)	H(CHHN)	109.4690	0.046	21	109.4690	0.002	21	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NLiC)(H)3	H(CHHN)	H(CHHN)	C(NLiC)(H)3	H(CHHN)	H(CHHN)	109.4650	0.104	20	109.4650	0.011	20	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NMgC)(H)3	H(CHHN)	H(CHHN)	C(NMgC)(H)3	H(CHHN)	H(CHHN)	109.5002	0.028	4	109.5002	0.001	4	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NMnC)(H)3	H(CHHN)	H(CHHN)	C(NMnC)(H)3	H(CHHN)	H(CHHN)	109.5094	0.048	8	109.5094	0.002	8	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NMoC)(H)3	H(CHHN)	H(CHHN)	C(NMoC)(H)3	H(CHHN)	H(CHHN)	109.4787	0.058	20	109.4787	0.003	20	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NNO)(H)3	H(CHHN)	H(CHHN)	C(NNO)(H)3	H(CHHN)	H(CHHN)	111.2628	5.361	21	111.2628	28.736	21	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NNP)(H)3	H(CHHN)	H(CHHN)	C(NNP)(H)3	H(CHHN)	H(CHHN)	109.4006	1.930	112	109.4006	3.725	112	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NNS)(H)3	H(CHHN)	H(CHHN)	C(NNS)(H)3	H(CHHN)	H(CHHN)	109.5748	2.077	5	109.5748	4.314	5	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NNU)(H)3	H(CHHN)	H(CHHN)	C(NNU)(H)3	H(CHHN)	H(CHHN)	109.4687	0.125	3	109.4687	0.016	3	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NNV)(H)3	H(CHHN)	H(CHHN)	C(NNV)(H)3	H(CHHN)	H(CHHN)	109.4603	0.023	3	109.4603	0.001	3	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NN[4]C)(H)3	H(CHHN)	H(CHHN)	C(NN[4]C)(H)3	H(CHHN)	H(CHHN)	108.9599	1.675	17	108.9599	2.805	17	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NN[4]H)(H)3	H(CHHN)	H(CHHN)	C(NN[4]H)(H)3	H(CHHN)	H(CHHN)	109.4655	0.060	2	109.4655	0.004	2	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NN[5]C)(H)3	H(CHHN)	H(CHHN)	C(NN[5]C)(H)3	H(CHHN)	H(CHHN)	109.9812	2.675	12	109.9812	7.156	12	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NN[5a]C)(H)3	H(CHHN)	H(CHHN)	C(NN[5a]C)(H)3	H(CHHN)	H(CHHN)	109.4721	0.048	50	109.4721	0.002	50	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NN[5a]H)(H)3	H(CHHN)	H(CHHN)	C(NN[5a]H)(H)3	H(CHHN)	H(CHHN)	104.7257	5.300	3	104.7257	28.095	3	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NN[6]C)(H)3	H(CHHN)	H(CHHN)	C(NN[6]C)(H)3	H(CHHN)	H(CHHN)	109.3569	0.385	8	109.3569	0.148	8	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NN[6]Ir)(H)3	H(CHHN)	H(CHHN)	C(NN[6]Ir)(H)3	H(CHHN)	H(CHHN)	109.4560	0.031	3	109.4560	0.001	3	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NN[6a]C)(H)3	H(CHHN)	H(CHHN)	C(NN[6a]C)(H)3	H(CHHN)	H(CHHN)	109.4716	0.069	5	109.4716	0.005	5	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NNbC)(H)3	H(CHHN)	H(CHHN)	C(NNbC)(H)3	H(CHHN)	H(CHHN)	109.4503	0.115	9	109.4503	0.013	9	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NNb[3,3]C)(H)3	H(CHHN)	H(CHHN)	C(NNb[3,3]C)(H)3	H(CHHN)	H(CHHN)	109.4659	0.036	20	109.4659	0.001	20	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NNb[3]C)(H)3	H(CHHN)	H(CHHN)	C(NNb[3]C)(H)3	H(CHHN)	H(CHHN)	109.4704	0.058	8	109.4704	0.003	8	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NNb[4]C)(H)3	H(CHHN)	H(CHHN)	C(NNb[4]C)(H)3	H(CHHN)	H(CHHN)	109.4752	0.042	19	109.4752	0.002	19	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NNb[5x3,5x5,20x6]C)(H)3	H(CHHN)	H(CHHN)	C(NNb[5x3,5x5,20x6]C)(H)3	H(CHHN)	H(CHHN)	109.4603	0.060	10	109.4603	0.004	10	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NNb[5x3]C)(H)3	H(CHHN)	H(CHHN)	C(NNb[5x3]C)(H)3	H(CHHN)	H(CHHN)	109.4525	0.053	4	109.4525	0.003	4	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NNb[6,6]C)(H)3	H(CHHN)	H(CHHN)	C(NNb[6,6]C)(H)3	H(CHHN)	H(CHHN)	109.4525	0.019	2	109.4525	0.000	2	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NNiC)(H)3	H(CHHN)	H(CHHN)	C(NNiC)(H)3	H(CHHN)	H(CHHN)	109.4796	0.060	44	109.4796	0.004	44	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NOO)(H)3	H(CHHN)	H(CHHN)	C(NOO)(H)3	H(CHHN)	H(CHHN)	109.5779	2.438	560	109.5779	5.943	560	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NO[5]C)(H)3	H(CHHN)	H(CHHN)	C(NO[5]C)(H)3	H(CHHN)	H(CHHN)	107.0797	3.318	6	107.0797	11.009	6	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NPP)(H)3	H(CHHN)	H(CHHN)	C(NPP)(H)3	H(CHHN)	H(CHHN)	109.3822	0.568	114	109.3822	0.323	114	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NP[4]C)(H)3	H(CHHN)	H(CHHN)	C(NP[4]C)(H)3	H(CHHN)	H(CHHN)	109.4822	0.037	4	109.4822	0.001	4	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NP[5,5]C)(H)3	H(CHHN)	H(CHHN)	C(NP[5,5]C)(H)3	H(CHHN)	H(CHHN)	109.4740	0.000	1	109.4740	0.000	1	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NP[5]C)(H)3	H(CHHN)	H(CHHN)	C(NP[5]C)(H)3	H(CHHN)	H(CHHN)	109.5767	1.311	99	109.5767	1.720	99	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NP[5]H)(H)3	H(CHHN)	H(CHHN)	C(NP[5]H)(H)3	H(CHHN)	H(CHHN)	109.5090	0.025	2	109.5090	0.001	2	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NP[6,6]P)(H)3	H(CHHN)	H(CHHN)	C(NP[6,6]P)(H)3	H(CHHN)	H(CHHN)	109.4957	0.016	3	109.4957	0.000	3	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NP[6]C)(H)3	H(CHHN)	H(CHHN)	C(NP[6]C)(H)3	H(CHHN)	H(CHHN)	109.2204	4.172	47	109.2204	17.406	47	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NP[6]N)(H)3	H(CHHN)	H(CHHN)	C(NP[6]N)(H)3	H(CHHN)	H(CHHN)	109.3403	1.668	40	109.3403	2.783	40	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NP[6]Si)(H)3	H(CHHN)	H(CHHN)	C(NP[6]Si)(H)3	H(CHHN)	H(CHHN)	108.4942	4.338	8	108.4942	18.818	8	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NPdC)(H)3	H(CHHN)	H(CHHN)	C(NPdC)(H)3	H(CHHN)	H(CHHN)	109.4558	0.051	6	109.4558	0.003	6	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NPdS)(H)3	H(CHHN)	H(CHHN)	C(NPdS)(H)3	H(CHHN)	H(CHHN)	109.4786	0.068	5	109.4786	0.005	5	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NPtC)(H)3	H(CHHN)	H(CHHN)	C(NPtC)(H)3	H(CHHN)	H(CHHN)	109.4245	0.059	15	109.4245	0.003	15	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NPtH)(H)3	H(CHHN)	H(CHHN)	C(NPtH)(H)3	H(CHHN)	H(CHHN)	108.9303	3.949	3	108.9303	15.596	3	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NRhC)(H)3	H(CHHN)	H(CHHN)	C(NRhC)(H)3	H(CHHN)	H(CHHN)	109.4761	0.044	23	109.4761	0.002	23	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NRuC)(H)3	H(CHHN)	H(CHHN)	C(NRuC)(H)3	H(CHHN)	H(CHHN)	109.4568	0.371	70	109.4568	0.138	70	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NSS)(H)3	H(CHHN)	H(CHHN)	C(NSS)(H)3	H(CHHN)	H(CHHN)	109.4609	0.033	7	109.4609	0.001	7	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NS[5]C)(H)3	H(CHHN)	H(CHHN)	C(NS[5]C)(H)3	H(CHHN)	H(CHHN)	108.4695	2.723	6	108.4695	7.416	6	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NSbC)(H)3	H(CHHN)	H(CHHN)	C(NSbC)(H)3	H(CHHN)	H(CHHN)	109.4927	0.031	3	109.4927	0.001	3	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NSe2)(H)3	H(CHHN)	H(CHHN)	C(NSe2)(H)3	H(CHHN)	H(CHHN)	109.4803	0.057	9	109.4803	0.003	9	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NSiB)(H)3	H(CHHN)	H(CHHN)	C(NSiB)(H)3	H(CHHN)	H(CHHN)	107.1060	3.977	2	107.1060	15.815	2	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NSiC)(H)3	H(CHHN)	H(CHHN)	C(NSiC)(H)3	H(CHHN)	H(CHHN)	109.4403	0.408	98	109.4403	0.166	98	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NSi[3,3]C)(H)3	H(CHHN)	H(CHHN)	C(NSi[3,3]C)(H)3	H(CHHN)	H(CHHN)	109.4515	0.011	2	109.4515	0.000	2	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NSi[4,4]C)(H)3	H(CHHN)	H(CHHN)	C(NSi[4,4]C)(H)3	H(CHHN)	H(CHHN)	109.4753	0.026	4	109.4753	0.001	4	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NSi[4]C)(H)3	H(CHHN)	H(CHHN)	C(NSi[4]C)(H)3	H(CHHN)	H(CHHN)	109.4630	0.052	24	109.4630	0.003	24	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NSnC)(H)3	H(CHHN)	H(CHHN)	C(NSnC)(H)3	H(CHHN)	H(CHHN)	109.4753	0.039	17	109.4753	0.002	17	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NTaC)(H)3	H(CHHN)	H(CHHN)	C(NTaC)(H)3	H(CHHN)	H(CHHN)	109.4560	0.075	2	109.4560	0.006	2	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NThN)(H)3	H(CHHN)	H(CHHN)	C(NThN)(H)3	H(CHHN)	H(CHHN)	109.4818	0.048	5	109.4818	0.002	5	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NTiC)(H)3	H(CHHN)	H(CHHN)	C(NTiC)(H)3	H(CHHN)	H(CHHN)	109.4686	0.037	10	109.4686	0.001	10	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NZnC)(H)3	H(CHHN)	H(CHHN)	C(NZnC)(H)3	H(CHHN)	H(CHHN)	107.0693	1.440	12	107.0693	2.072	12	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	C-4:	C-4:	C(NZrC)(H)3	H(CHHN)	H(CHHN)	C(NZrC)(H)3	H(CHHN)	H(CHHN)	109.4660	0.056	3	109.4660	0.003	3	109.4053	2.026	39855	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[3]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[3]C[3,3]2)(H)3	H(CN[3]HH)	H(CN[3]HH)	C(N[3]C[3,3]2)(H)3	H(CN[3]HH)	H(CN[3]HH)	109.4317	0.099	3	109.4317	0.010	3	109.8884	88.655	25	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[3]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[3]C[3,5]2)(H)3	H(CN[3]HH)	H(CN[3]HH)	C(N[3]C[3,5]2)(H)3	H(CN[3]HH)	H(CN[3]HH)	111.1713	20.565	6	111.1713	422.929	6	109.8884	88.655	25	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[3]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[3]C[3]O[3])(H)3	H(CN[3]HH)	H(CN[3]HH)	C(N[3]C[3]O[3])(H)3	H(CN[3]HH)	H(CN[3]HH)	109.5059	0.055	8	109.5059	0.003	8	109.8884	88.655	25	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[3]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[3]C[3]P[3])(H)3	H(CN[3]HH)	H(CN[3]HH)	C(N[3]C[3]P[3])(H)3	H(CN[3]HH)	H(CN[3]HH)	109.4799	0.053	8	109.4799	0.003	8	109.8884	88.655	25	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[4]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[4]C[3,4]C[4])(H)3	H(CN[4]HH)	H(CN[4]HH)	C(N[4]C[3,4]C[4])(H)3	H(CN[4]HH)	H(CN[4]HH)	109.4583	0.068	3	109.4583	0.005	3	109.7756	9.565	21	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[4]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[4]C[4,4]C[4])(H)3	H(CN[4]HH)	H(CN[4]HH)	C(N[4]C[4,4]C[4])(H)3	H(CN[4]HH)	H(CN[4]HH)	111.0590	4.925	6	111.0590	24.259	6	109.7756	9.565	21	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[4]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[4]C[4,6]C[4])(H)3	H(CN[4]HH)	H(CN[4]HH)	C(N[4]C[4,6]C[4])(H)3	H(CN[4]HH)	H(CN[4]HH)	109.4627	0.050	3	109.4627	0.002	3	109.7756	9.565	21	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[4]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[4]C[4]2)(H)3	H(CN[4]HH)	H(CN[4]HH)	C(N[4]C[4]2)(H)3	H(CN[4]HH)	H(CN[4]HH)	109.1301	2.640	9	109.1301	6.971	9	109.7756	9.565	21	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5,5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5,5]C[5,5,6]2)(H)3	H(CN[5,5]HH)	H(CN[5,5]HH)	C(N[5,5]C[5,5,6]2)(H)3	H(CN[5,5]HH)	H(CN[5,5]HH)	108.8320	2.099	3	108.8320	4.408	3	108.8320	4.408	3	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5,6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5,6]C[5,5,3x6]C[5,6])(H)3	H(CN[5,6]HH)	H(CN[5,6]HH)	C(N[5,6]C[5,5,3x6]C[5,6])(H)3	H(CN[5,6]HH)	H(CN[5,6]HH)	108.2738	1.379	6	108.2738	1.902	6	109.0929	3.552	46	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5,6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5,6]C[5,5,6]C[5,6,6])(H)3	H(CN[5,6]HH)	H(CN[5,6]HH)	C(N[5,6]C[5,5,6]C[5,6,6])(H)3	H(CN[5,6]HH)	H(CN[5,6]HH)	109.5100	0.049	3	109.5100	0.002	3	109.0929	3.552	46	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5,6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5,6]C[5,6]2)(H)3	H(CN[5,6]HH)	H(CN[5,6]HH)	C(N[5,6]C[5,6]2)(H)3	H(CN[5,6]HH)	H(CN[5,6]HH)	109.1919	2.010	37	109.1919	4.040	37	109.0929	3.552	46	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(Cl)(H)2	H(CN[5]ClH)	H(CN[5]ClH)	C(N[5]C[5,6a]C[5])(Cl)(H)2	H(CN[5]ClH)	H(CN[5]ClH)	107.9160	0.000	1	107.9160	0.000	1	107.9410	0.001	2	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]S[5])(Cl)(H)2	H(CN[5]ClH)	H(CN[5]ClH)	C(N[5]C[5]S[5])(Cl)(H)2	H(CN[5]ClH)	H(CN[5]ClH)	107.9660	0.000	1	107.9660	0.000	1	107.9410	0.001	2	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]B[5]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]B[5]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4711	0.035	30	109.4711	0.001	30	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]B[5]N[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]B[5]N[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4650	0.046	3	109.4650	0.002	3	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[3x5,6]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[3x5,6]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4887	0.016	3	109.4887	0.000	3	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[3x5]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[3x5]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.3259	1.255	29	109.3259	1.575	29	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5,6,6]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,5,6,6]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4800	0.031	13	109.4800	0.001	13	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5,6]C[5,6a])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,5,6]C[5,6a])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.3241	0.497	34	109.3241	0.247	34	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5,6]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,5,6]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4641	0.049	40	109.4641	0.002	40	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5]2)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,5]2)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4943	0.035	3	109.4943	0.001	3	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4588	0.876	588	109.4588	0.767	588	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5]N[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,5]N[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	108.2329	12.045	3	108.2329	145.088	3	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5]O[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,5]O[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.9816	2.978	14	109.9816	8.866	14	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5]S[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,5]S[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4480	0.032	3	109.4480	0.001	3	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5a]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,5a]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4712	0.015	5	109.4712	0.000	5	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6,6]C[5,6a])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,6,6]C[5,6a])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4715	0.035	4	109.4715	0.001	4	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6,6]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,6,6]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4735	0.032	11	109.4735	0.001	11	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]2)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,6]2)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4673	0.043	11	109.4673	0.002	11	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.3963	0.692	225	109.3963	0.479	225	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]N[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,6]N[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4563	0.078	6	109.4563	0.006	6	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]O[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,6]O[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.5354	0.329	48	109.5354	0.108	48	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]P[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,6]P[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4692	0.059	87	109.4692	0.003	87	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a,6a]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,6a,6a]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4513	0.041	3	109.4513	0.002	3	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[3x5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,6a]C[3x5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4870	0.018	2	109.4870	0.000	2	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.3481	0.785	146	109.3481	0.616	146	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.3116	4.222	195	109.3116	17.827	195	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4397	1.017	2884	109.4397	1.034	2884	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]N[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,6a]N[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.6868	1.074	53	109.6868	1.154	53	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]P[5,5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,6a]P[5,5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4844	0.043	39	109.4844	0.002	39	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]P[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,6a]P[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4825	0.036	2	109.4825	0.001	2	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]S[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,6a]S[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.5034	0.024	5	109.5034	0.001	5	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]Se[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,6a]Se[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4662	0.055	10	109.4662	0.003	10	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4466	1.390	9467	109.4466	1.932	9467	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4891	1.291	1147	109.4891	1.667	1147	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]O[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5]O[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4785	0.047	108	109.4785	0.002	108	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]P[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5]P[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.3996	0.750	116	109.3996	0.562	116	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]S[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5]S[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4663	0.042	35	109.4663	0.002	35	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5x3,6x5,20x6]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5x3,6x5,20x6]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4693	0.034	3	109.4693	0.001	3	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]N[5]2)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]N[5]2)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.8041	1.319	27	109.8041	1.738	27	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]N[5]O[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]N[5]O[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	110.5017	4.503	3	110.5017	20.280	3	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]P[3x5]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]P[3x5]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4851	0.063	9	109.4851	0.004	9	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]P[5,5]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]P[5,5]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4830	0.074	5	109.4830	0.005	5	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]P[5,6]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]P[5,6]C[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4747	0.034	26	109.4747	0.001	26	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]Si[5,5]N[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]Si[5,5]N[5])(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4575	0.018	2	109.4575	0.000	2	109.4477	1.812	15447	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5]-3:H-1:H-1:I-1:	C-4:	C-4:	C(N[5]C[5]2)(H)2(I)	H(CN[5]HI)	H(CN[5]HI)	C(N[5]C[5]2)(H)2(I)	H(CN[5]HI)	H(CN[5]HI)	107.8600	0.000	1	107.8600	0.000	1	107.8600	0.000	1	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(Cl)(H)2	H(CN[5a]ClH)	H(CN[5a]ClH)	C(N[5a]C[5a,6a]N[5a])(Cl)(H)2	H(CN[5a]ClH)	H(CN[5a]ClH)	108.0610	0.000	1	108.0610	0.000	1	108.0610	0.000	1	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5a]B[5a,6]N[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	C(N[5a]B[5a,6]N[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	109.4805	0.041	4	109.4805	0.002	4	109.4358	2.426	4525	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5a]B[5a]N[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	C(N[5a]B[5a]N[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	110.4306	7.333	10	110.4306	53.772	10	109.4358	2.426	4525	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5,5a]C[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	C(N[5a]C[5,5a]C[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	110.8587	1.586	3	110.8587	2.515	3	109.4358	2.426	4525	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5,5a]N[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	C(N[5a]C[5,5a]N[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	109.4738	0.030	5	109.4738	0.001	5	109.4358	2.426	4525	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	C(N[5a]C[5a,5a]C[5a,6a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	109.4699	0.043	33	109.4699	0.002	33	109.4358	2.426	4525	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,5a]C[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	C(N[5a]C[5a,5a]C[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	109.4371	0.347	23	109.4371	0.120	23	109.4358	2.426	4525	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,5a]N[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	C(N[5a]C[5a,5a]N[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	109.6411	0.631	41	109.6411	0.398	41	109.4358	2.426	4525	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6,6]C[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	C(N[5a]C[5a,6,6]C[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	109.9657	0.654	3	109.9657	0.428	3	109.4358	2.426	4525	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6,6a]C[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	C(N[5a]C[5a,6,6a]C[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	109.4746	0.041	22	109.4746	0.002	22	109.4358	2.426	4525	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	109.4253	1.186	66	109.4253	1.407	66	109.4358	2.426	4525	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	C(N[5a]C[5a,6]N[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	109.4666	0.035	13	109.4666	0.001	13	109.4358	2.426	4525	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a,6a]C[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	C(N[5a]C[5a,6a,6a]C[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	109.4774	0.025	5	109.4774	0.001	5	109.4358	2.426	4525	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]2)(H)3	H(CN[5a]HH)	H(CN[5a]HH)	C(N[5a]C[5a,6a]2)(H)3	H(CN[5a]HH)	H(CN[5a]HH)	109.4247	0.291	285	109.4247	0.085	285	109.4358	2.426	4525	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	C(N[5a]C[5a,6a]B[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	109.4700	0.031	22	109.4700	0.001	22	109.4358	2.426	4525	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5,5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	109.2589	1.491	85	109.2589	2.223	85	109.4358	2.426	4525	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	109.4392	0.438	179	109.4392	0.192	179	109.4358	2.426	4525	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	109.4368	1.538	1607	109.4368	2.367	1607	109.4358	2.426	4525	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	109.3076	2.308	135	109.3076	5.327	135	109.4358	2.426	4525	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(H)3	H(CN[5a]HH)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	H(CN[5a]HH)	H(CN[5a]HH)	109.4568	1.677	1034	109.4568	2.811	1034	109.4358	2.426	4525	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	109.3862	1.579	851	109.3862	2.493	851	109.4358	2.426	4525	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]O[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	C(N[5a]C[5a]O[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	109.4839	0.049	8	109.4839	0.002	8	109.4358	2.426	4525	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]S[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	C(N[5a]C[5a]S[5a])(H)3	H(CN[5a]HH)	H(CN[5a]HH)	109.4723	0.034	8	109.4723	0.001	8	109.4358	2.426	4525	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[5a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[5a]N[5a]2)(H)3	H(CN[5a]HH)	H(CN[5a]HH)	C(N[5a]N[5a]2)(H)3	H(CN[5a]HH)	H(CN[5a]HH)	109.7476	2.612	83	109.7476	6.823	83	109.4358	2.426	4525	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6,6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6,6]C[3x6]2)(H)3	H(CN[6,6]HH)	H(CN[6,6]HH)	C(N[6,6]C[3x6]2)(H)3	H(CN[6,6]HH)	H(CN[6,6]HH)	109.4900	0.000	1	109.4900	0.000	1	109.4540	0.358	114	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6,6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(H)3	H(CN[6,6]HH)	H(CN[6,6]HH)	C(N[6,6]C[3x6]C[6,6])(H)3	H(CN[6,6]HH)	H(CN[6,6]HH)	109.4307	0.916	49	109.4307	0.839	49	109.4540	0.358	114	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6,6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6,6]C[5,3x6]C[6,6])(H)3	H(CN[6,6]HH)	H(CN[6,6]HH)	C(N[6,6]C[5,3x6]C[6,6])(H)3	H(CN[6,6]HH)	H(CN[6,6]HH)	109.4716	0.022	10	109.4716	0.000	10	109.4540	0.358	114	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6,6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6,6]C[6,6]2)(H)3	H(CN[6,6]HH)	H(CN[6,6]HH)	C(N[6,6]C[6,6]2)(H)3	H(CN[6,6]HH)	H(CN[6,6]HH)	109.4715	0.047	34	109.4715	0.002	34	109.4540	0.358	114	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6,6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6,6]C[6,6]P[3x6])(H)3	H(CN[6,6]HH)	H(CN[6,6]HH)	C(N[6,6]C[6,6]P[3x6])(H)3	H(CN[6,6]HH)	H(CN[6,6]HH)	109.4707	0.055	20	109.4707	0.003	20	109.4540	0.358	114	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]B[5a,6]N[5a,6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]B[5a,6]N[5a,6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4800	0.049	6	109.4800	0.002	6	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]B[6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]B[6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	107.7386	6.145	23	107.7386	37.756	23	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[3,6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[3,6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4837	0.058	7	109.4837	0.003	7	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[4,6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[4,6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4957	2.258	37	109.4957	5.100	37	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[4a,6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[4a,6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4875	0.023	2	109.4875	0.001	2	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[5,6,6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[5,6,6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	108.5434	0.830	8	108.5434	0.689	8	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[5,6]2)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[5,6]2)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4750	0.051	8	109.4750	0.003	8	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[5,6]C[6,6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[5,6]C[6,6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4037	0.010	3	109.4037	0.000	3	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[5,6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[5,6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4656	0.056	51	109.4656	0.003	51	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[5a,6]C[5,6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[5a,6]C[5,6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4080	0.024	3	109.4080	0.001	3	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[5a,6]C[6,6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[5a,6]C[6,6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4563	0.036	9	109.4563	0.001	9	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[5a,6]C[6,6a])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[5a,6]C[6,6a])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4850	0.031	3	109.4850	0.001	3	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[5a,6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[5a,6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.3863	2.496	29	109.3863	6.232	29	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[5a,6]N[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[5a,6]N[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4943	3.807	3	109.4943	14.494	3	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[5a,6]S[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[5a,6]S[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4613	0.044	31	109.4613	0.002	31	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4394	1.040	227	109.4394	1.082	227	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]N[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6,6]N[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4653	0.012	3	109.4653	0.000	3	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]S[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6,6]S[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.5000	0.024	3	109.5000	0.001	3	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]2)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6,6a]2)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4195	1.579	285	109.4195	2.494	285	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]B[6,6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6,6a]B[6,6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4756	0.053	8	109.4756	0.003	8	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[5,6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6,6a]C[5,6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4655	0.028	24	109.4655	0.001	24	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6,6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6,6a]C[6,6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.0759	3.726	52	109.0759	13.884	52	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.3465	1.143	583	109.3465	1.307	583	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]O[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6,6a]O[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4160	0.040	2	109.4160	0.002	2	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]S[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6,6a]S[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4725	0.046	67	109.4725	0.002	67	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4444	1.311	4355	109.4444	1.719	4355	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]N[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6]N[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.5919	2.013	136	109.5919	4.052	136	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]O[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6]O[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	108.9705	1.043	26	108.9705	1.089	26	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]P[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6]P[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4249	0.051	8	109.4249	0.003	8	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]S[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6]S[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4945	1.412	294	109.4945	1.995	294	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]Ga[6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]Ga[6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4815	0.028	2	109.4815	0.001	2	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]N[6,6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]N[6,6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	110.2186	5.592	7	110.2186	31.267	7	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]N[6,6a]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]N[6,6a]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4647	0.046	3	109.4647	0.002	3	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]N[6]P[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]N[6]P[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4682	0.027	5	109.4682	0.001	5	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]O[5,6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]O[5,6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4477	0.050	3	109.4477	0.002	3	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]P[6,6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]P[6,6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.5567	1.431	50	109.5567	2.046	50	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]P[6]2)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]P[6]2)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4762	0.083	23	109.4762	0.007	23	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]Si[5,6,6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]Si[5,6,6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4696	0.041	8	109.4696	0.002	8	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]Si[6,6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]Si[6,6]C[6])(H)3	H(CN[6]HH)	H(CN[6]HH)	109.5175	0.011	2	109.5175	0.000	2	109.4303	1.981	6399	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6a]B[6a,6a]C[6a,6a])(H)3	H(CN[6a]HH)	H(CN[6a]HH)	C(N[6a]B[6a,6a]C[6a,6a])(H)3	H(CN[6a]HH)	H(CN[6a]HH)	109.4796	0.043	9	109.4796	0.002	9	109.4437	3.736	2621	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6a]B[6a]2)(H)3	H(CN[6a]HH)	H(CN[6a]HH)	C(N[6a]B[6a]2)(H)3	H(CN[6a]HH)	H(CN[6a]HH)	109.4763	0.040	27	109.4763	0.002	27	109.4437	3.736	2621	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6a]B[6a]C[6a])(H)3	H(CN[6a]HH)	H(CN[6a]HH)	C(N[6a]B[6a]C[6a])(H)3	H(CN[6a]HH)	H(CN[6a]HH)	109.4676	0.053	30	109.4676	0.003	30	109.4437	3.736	2621	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6a]B[6a]N[6a])(H)3	H(CN[6a]HH)	H(CN[6a]HH)	C(N[6a]B[6a]N[6a])(H)3	H(CN[6a]HH)	H(CN[6a]HH)	109.4540	0.041	3	109.4540	0.002	3	109.4437	3.736	2621	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6a]C[5,6a]2)(H)3	H(CN[6a]HH)	H(CN[6a]HH)	C(N[6a]C[5,6a]2)(H)3	H(CN[6a]HH)	H(CN[6a]HH)	109.4580	5.714	15	109.4580	32.653	15	109.4437	3.736	2621	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6a]C[5,6a]B[6a])(H)3	H(CN[6a]HH)	H(CN[6a]HH)	C(N[6a]C[5,6a]B[6a])(H)3	H(CN[6a]HH)	H(CN[6a]HH)	109.4640	0.014	2	109.4640	0.000	2	109.4437	3.736	2621	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6a]C[5,6a]C[6,6a])(H)3	H(CN[6a]HH)	H(CN[6a]HH)	C(N[6a]C[5,6a]C[6,6a])(H)3	H(CN[6a]HH)	H(CN[6a]HH)	109.4603	0.022	10	109.4603	0.000	10	109.4437	3.736	2621	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6a]C[5,6a]C[6a])(H)3	H(CN[6a]HH)	H(CN[6a]HH)	C(N[6a]C[5,6a]C[6a])(H)3	H(CN[6a]HH)	H(CN[6a]HH)	109.4589	0.640	132	109.4589	0.410	132	109.4437	3.736	2621	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6a]C[5a,6a]C[6a,6a])(H)3	H(CN[6a]HH)	H(CN[6a]HH)	C(N[6a]C[5a,6a]C[6a,6a])(H)3	H(CN[6a]HH)	H(CN[6a]HH)	109.4448	0.788	6	109.4448	0.622	6	109.4437	3.736	2621	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(H)3	H(CN[6a]HH)	H(CN[6a]HH)	C(N[6a]C[5a,6a]C[6a])(H)3	H(CN[6a]HH)	H(CN[6a]HH)	109.4762	1.132	579	109.4762	1.282	579	109.4437	3.736	2621	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6,6a]C[6a])(H)3	H(CN[6a]HH)	H(CN[6a]HH)	C(N[6a]C[6,6a]C[6a])(H)3	H(CN[6a]HH)	H(CN[6a]HH)	109.5752	0.848	80	109.5752	0.719	80	109.4437	3.736	2621	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]2)(H)3	H(CN[6a]HH)	H(CN[6a]HH)	C(N[6a]C[6a,6a]2)(H)3	H(CN[6a]HH)	H(CN[6a]HH)	109.5222	1.566	69	109.5222	2.453	69	109.4437	3.736	2621	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]C[6,6a])(H)3	H(CN[6a]HH)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6,6a])(H)3	H(CN[6a]HH)	H(CN[6a]HH)	109.4915	0.031	6	109.4915	0.001	6	109.4437	3.736	2621	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	H(CN[6a]HH)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	H(CN[6a]HH)	H(CN[6a]HH)	109.4506	3.238	281	109.4506	10.484	281	109.4437	3.736	2621	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(H)3	H(CN[6a]HH)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	H(CN[6a]HH)	H(CN[6a]HH)	109.4127	1.993	1353	109.4127	3.971	1353	109.4437	3.736	2621	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	N[6a]-3:H-1:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]N[6a])(H)3	H(CN[6a]HH)	H(CN[6a]HH)	C(N[6a]C[6a]N[6a])(H)3	H(CN[6a]HH)	H(CN[6a]HH)	109.4701	0.034	19	109.4701	0.001	19	109.4437	3.736	2621	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:C-1:H-1:H-1:	C-4:	C-4:	C(ONiH)(C)(H)2	H(CCHO)	H(CCHO)	C(ONiH)(C)(H)2	H(CCHO)	H(CCHO)	97.1051	0.000	1	97.1051	0.000	1	97.1051	0.000	1	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OAl2)(H)3	H(CHHO)	H(CHHO)	C(OAl2)(H)3	H(CHHO)	H(CHHO)	109.4958	0.056	12	109.4958	0.003	12	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OAlC)(H)3	H(CHHO)	H(CHHO)	C(OAlC)(H)3	H(CHHO)	H(CHHO)	109.4878	0.038	5	109.4878	0.001	5	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OAlH)(H)3	H(CHHO)	H(CHHO)	C(OAlH)(H)3	H(CHHO)	H(CHHO)	109.4660	0.019	3	109.4660	0.000	3	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OB[5x3,3x5,11x6]Ir)(H)3	H(CHHO)	H(CHHO)	C(OB[5x3,3x5,11x6]Ir)(H)3	H(CHHO)	H(CHHO)	109.4378	0.062	5	109.4378	0.004	5	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OB[5x3,3x5,11x6]Ru)(H)3	H(CHHO)	H(CHHO)	C(OB[5x3,3x5,11x6]Ru)(H)3	H(CHHO)	H(CHHO)	109.4327	0.072	3	109.4327	0.005	3	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OB[6,6]Li)(H)3	H(CHHO)	H(CHHO)	C(OB[6,6]Li)(H)3	H(CHHO)	H(CHHO)	109.4723	0.018	3	109.4723	0.000	3	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OBaC)(H)3	H(CHHO)	H(CHHO)	C(OBaC)(H)3	H(CHHO)	H(CHHO)	109.4895	2.172	103	109.4895	4.717	103	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OBaSi)(H)3	H(CHHO)	H(CHHO)	C(OBaSi)(H)3	H(CHHO)	H(CHHO)	109.4888	0.091	19	109.4888	0.008	19	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OCC)(H)3	H(CHHO)	H(CHHO)	C(OCC)(H)3	H(CHHO)	H(CHHO)	109.4682	0.045	5	109.4682	0.002	5	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OCV)(H)3	H(CHHO)	H(CHHO)	C(OCV)(H)3	H(CHHO)	H(CHHO)	109.4860	0.050	8	109.4860	0.003	8	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OCW)(H)3	H(CHHO)	H(CHHO)	C(OCW)(H)3	H(CHHO)	H(CHHO)	109.3561	0.123	14	109.3561	0.015	14	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6]Ce)(H)3	H(CHHO)	H(CHHO)	C(OC[6]Ce)(H)3	H(CHHO)	H(CHHO)	109.4574	0.042	7	109.4574	0.002	7	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6]Cr)(H)3	H(CHHO)	H(CHHO)	C(OC[6]Cr)(H)3	H(CHHO)	H(CHHO)	109.4818	0.040	9	109.4818	0.002	9	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6]Dy)(H)3	H(CHHO)	H(CHHO)	C(OC[6]Dy)(H)3	H(CHHO)	H(CHHO)	109.4624	0.064	12	109.4624	0.004	12	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6]Er)(H)3	H(CHHO)	H(CHHO)	C(OC[6]Er)(H)3	H(CHHO)	H(CHHO)	109.4530	0.043	3	109.4530	0.002	3	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6]Eu)(H)3	H(CHHO)	H(CHHO)	C(OC[6]Eu)(H)3	H(CHHO)	H(CHHO)	109.5125	0.033	4	109.5125	0.001	4	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6]Gd)(H)3	H(CHHO)	H(CHHO)	C(OC[6]Gd)(H)3	H(CHHO)	H(CHHO)	109.4582	0.067	10	109.4582	0.005	10	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6]Ho)(H)3	H(CHHO)	H(CHHO)	C(OC[6]Ho)(H)3	H(CHHO)	H(CHHO)	109.4870	0.076	6	109.4870	0.006	6	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6]La)(H)3	H(CHHO)	H(CHHO)	C(OC[6]La)(H)3	H(CHHO)	H(CHHO)	109.4712	0.042	6	109.4712	0.002	6	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6]Li)(H)3	H(CHHO)	H(CHHO)	C(OC[6]Li)(H)3	H(CHHO)	H(CHHO)	109.4708	0.041	14	109.4708	0.002	14	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6]Nd)(H)3	H(CHHO)	H(CHHO)	C(OC[6]Nd)(H)3	H(CHHO)	H(CHHO)	109.4642	0.029	4	109.4642	0.001	4	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6]Tb)(H)3	H(CHHO)	H(CHHO)	C(OC[6]Tb)(H)3	H(CHHO)	H(CHHO)	109.4798	0.039	11	109.4798	0.002	11	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6]Y)(H)3	H(CHHO)	H(CHHO)	C(OC[6]Y)(H)3	H(CHHO)	H(CHHO)	109.4950	0.035	5	109.4950	0.001	5	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6]Yb)(H)3	H(CHHO)	H(CHHO)	C(OC[6]Yb)(H)3	H(CHHO)	H(CHHO)	109.4727	0.044	7	109.4727	0.002	7	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6]Zr)(H)3	H(CHHO)	H(CHHO)	C(OC[6]Zr)(H)3	H(CHHO)	H(CHHO)	109.4575	0.006	2	109.4575	0.000	2	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6a]Al)(H)3	H(CHHO)	H(CHHO)	C(OC[6a]Al)(H)3	H(CHHO)	H(CHHO)	109.4523	0.079	6	109.4523	0.006	6	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6a]C)(H)3	H(CHHO)	H(CHHO)	C(OC[6a]C)(H)3	H(CHHO)	H(CHHO)	110.8167	5.331	6	110.8167	28.421	6	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6a]Ca)(H)3	H(CHHO)	H(CHHO)	C(OC[6a]Ca)(H)3	H(CHHO)	H(CHHO)	109.4694	0.035	17	109.4694	0.001	17	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6a]Cd)(H)3	H(CHHO)	H(CHHO)	C(OC[6a]Cd)(H)3	H(CHHO)	H(CHHO)	109.4770	0.060	3	109.4770	0.004	3	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6a]Co)(H)3	H(CHHO)	H(CHHO)	C(OC[6a]Co)(H)3	H(CHHO)	H(CHHO)	109.4655	0.039	11	109.4655	0.002	11	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6a]Cr)(H)3	H(CHHO)	H(CHHO)	C(OC[6a]Cr)(H)3	H(CHHO)	H(CHHO)	109.7365	1.512	26	109.7365	2.286	26	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6a]Cu)(H)3	H(CHHO)	H(CHHO)	C(OC[6a]Cu)(H)3	H(CHHO)	H(CHHO)	109.4955	0.023	6	109.4955	0.001	6	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6a]Ir)(H)3	H(CHHO)	H(CHHO)	C(OC[6a]Ir)(H)3	H(CHHO)	H(CHHO)	109.4760	0.036	5	109.4760	0.001	5	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6a]Li)(H)3	H(CHHO)	H(CHHO)	C(OC[6a]Li)(H)3	H(CHHO)	H(CHHO)	109.7104	1.392	45	109.7104	1.936	45	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6a]Mg)(H)3	H(CHHO)	H(CHHO)	C(OC[6a]Mg)(H)3	H(CHHO)	H(CHHO)	109.4795	0.049	24	109.4795	0.002	24	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6a]Mn)(H)3	H(CHHO)	H(CHHO)	C(OC[6a]Mn)(H)3	H(CHHO)	H(CHHO)	109.4552	0.040	9	109.4552	0.002	9	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6a]Ni)(H)3	H(CHHO)	H(CHHO)	C(OC[6a]Ni)(H)3	H(CHHO)	H(CHHO)	109.4548	0.061	20	109.4548	0.004	20	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6a]Pd)(H)3	H(CHHO)	H(CHHO)	C(OC[6a]Pd)(H)3	H(CHHO)	H(CHHO)	109.4743	0.078	22	109.4743	0.006	22	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6a]Ru)(H)3	H(CHHO)	H(CHHO)	C(OC[6a]Ru)(H)3	H(CHHO)	H(CHHO)	108.8519	1.073	7	108.8519	1.152	7	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6a]Sr)(H)3	H(CHHO)	H(CHHO)	C(OC[6a]Sr)(H)3	H(CHHO)	H(CHHO)	109.4716	0.030	12	109.4716	0.001	12	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6a]Ti)(H)3	H(CHHO)	H(CHHO)	C(OC[6a]Ti)(H)3	H(CHHO)	H(CHHO)	109.4775	0.074	2	109.4775	0.006	2	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OC[6a]Zr)(H)3	H(CHHO)	H(CHHO)	C(OC[6a]Zr)(H)3	H(CHHO)	H(CHHO)	109.5237	0.106	11	109.5237	0.011	11	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OCaC)(H)3	H(CHHO)	H(CHHO)	C(OCaC)(H)3	H(CHHO)	H(CHHO)	109.4289	1.445	35	109.4289	2.087	35	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OCaH)(H)3	H(CHHO)	H(CHHO)	C(OCaH)(H)3	H(CHHO)	H(CHHO)	109.2768	0.459	18	109.2768	0.211	18	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OCdH)(H)3	H(CHHO)	H(CHHO)	C(OCdH)(H)3	H(CHHO)	H(CHHO)	109.2935	0.554	16	109.2935	0.307	16	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OCeSi)(H)3	H(CHHO)	H(CHHO)	C(OCeSi)(H)3	H(CHHO)	H(CHHO)	109.4970	0.064	3	109.4970	0.004	3	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OCo2)(H)3	H(CHHO)	H(CHHO)	C(OCo2)(H)3	H(CHHO)	H(CHHO)	109.4850	0.062	5	109.4850	0.004	5	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OCoB)(H)3	H(CHHO)	H(CHHO)	C(OCoB)(H)3	H(CHHO)	H(CHHO)	109.4844	0.061	5	109.4844	0.004	5	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OCoC)(H)3	H(CHHO)	H(CHHO)	C(OCoC)(H)3	H(CHHO)	H(CHHO)	109.2605	2.308	13	109.2605	5.326	13	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OCoH)(H)3	H(CHHO)	H(CHHO)	C(OCoH)(H)3	H(CHHO)	H(CHHO)	109.4038	0.657	166	109.4038	0.432	166	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OCoSn)(H)3	H(CHHO)	H(CHHO)	C(OCoSn)(H)3	H(CHHO)	H(CHHO)	109.4835	0.029	2	109.4835	0.001	2	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OCr2)(H)3	H(CHHO)	H(CHHO)	C(OCr2)(H)3	H(CHHO)	H(CHHO)	109.4305	0.008	2	109.4305	0.000	2	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OCrC)(H)3	H(CHHO)	H(CHHO)	C(OCrC)(H)3	H(CHHO)	H(CHHO)	109.4771	0.055	14	109.4771	0.003	14	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OCrH)(H)3	H(CHHO)	H(CHHO)	C(OCrH)(H)3	H(CHHO)	H(CHHO)	109.5095	0.034	6	109.5095	0.001	6	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OCu2)(H)3	H(CHHO)	H(CHHO)	C(OCu2)(H)3	H(CHHO)	H(CHHO)	109.5205	0.132	19	109.5205	0.017	19	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OCuC)(H)3	H(CHHO)	H(CHHO)	C(OCuC)(H)3	H(CHHO)	H(CHHO)	111.5034	2.644	48	111.5034	6.992	48	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OCuH)(H)3	H(CHHO)	H(CHHO)	C(OCuH)(H)3	H(CHHO)	H(CHHO)	109.4885	1.642	111	109.4885	2.698	111	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OErH)(H)3	H(CHHO)	H(CHHO)	C(OErH)(H)3	H(CHHO)	H(CHHO)	109.4755	0.036	2	109.4755	0.001	2	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OEuC)(H)3	H(CHHO)	H(CHHO)	C(OEuC)(H)3	H(CHHO)	H(CHHO)	109.4723	0.068	26	109.4723	0.005	26	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OEuH)(H)3	H(CHHO)	H(CHHO)	C(OEuH)(H)3	H(CHHO)	H(CHHO)	109.4666	0.052	8	109.4666	0.003	8	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OFe2)(H)3	H(CHHO)	H(CHHO)	C(OFe2)(H)3	H(CHHO)	H(CHHO)	109.4841	0.061	45	109.4841	0.004	45	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OFeC)(H)3	H(CHHO)	H(CHHO)	C(OFeC)(H)3	H(CHHO)	H(CHHO)	109.4590	0.051	38	109.4590	0.003	38	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OFeH)(H)3	H(CHHO)	H(CHHO)	C(OFeH)(H)3	H(CHHO)	H(CHHO)	109.2160	2.516	123	109.2160	6.329	123	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OGa[4x6]H)(H)3	H(CHHO)	H(CHHO)	C(OGa[4x6]H)(H)3	H(CHHO)	H(CHHO)	109.4785	0.029	2	109.4785	0.001	2	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OGa[5,6]H)(H)3	H(CHHO)	H(CHHO)	C(OGa[5,6]H)(H)3	H(CHHO)	H(CHHO)	108.9450	0.608	6	108.9450	0.370	6	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OGdH)(H)3	H(CHHO)	H(CHHO)	C(OGdH)(H)3	H(CHHO)	H(CHHO)	109.4708	0.058	6	109.4708	0.003	6	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OHV)(H)3	H(CHHO)	H(CHHO)	C(OHV)(H)3	H(CHHO)	H(CHHO)	109.4713	0.025	3	109.4713	0.001	3	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OIn[5,5]H)(H)3	H(CHHO)	H(CHHO)	C(OIn[5,5]H)(H)3	H(CHHO)	H(CHHO)	109.5110	0.011	3	109.5110	0.000	3	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OIn[5]H)(H)3	H(CHHO)	H(CHHO)	C(OIn[5]H)(H)3	H(CHHO)	H(CHHO)	109.4600	0.051	7	109.4600	0.003	7	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OIr2)(H)3	H(CHHO)	H(CHHO)	C(OIr2)(H)3	H(CHHO)	H(CHHO)	99.4966	0.384	3	99.4966	0.148	3	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OIrC)(H)3	H(CHHO)	H(CHHO)	C(OIrC)(H)3	H(CHHO)	H(CHHO)	109.4598	0.053	6	109.4598	0.003	6	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OIrH)(H)3	H(CHHO)	H(CHHO)	C(OIrH)(H)3	H(CHHO)	H(CHHO)	109.1948	2.649	26	109.1948	7.018	26	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OLi2)(H)3	H(CHHO)	H(CHHO)	C(OLi2)(H)3	H(CHHO)	H(CHHO)	109.4942	0.029	5	109.4942	0.001	5	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OLiB)(H)3	H(CHHO)	H(CHHO)	C(OLiB)(H)3	H(CHHO)	H(CHHO)	109.5035	0.006	2	109.5035	0.000	2	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OLiC)(H)3	H(CHHO)	H(CHHO)	C(OLiC)(H)3	H(CHHO)	H(CHHO)	109.5183	0.941	734	109.5183	0.885	734	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OLiH)(H)3	H(CHHO)	H(CHHO)	C(OLiH)(H)3	H(CHHO)	H(CHHO)	109.4777	0.060	50	109.4777	0.004	50	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OLiSi)(H)3	H(CHHO)	H(CHHO)	C(OLiSi)(H)3	H(CHHO)	H(CHHO)	109.4672	0.095	9	109.4672	0.009	9	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OMg2)(H)3	H(CHHO)	H(CHHO)	C(OMg2)(H)3	H(CHHO)	H(CHHO)	109.4490	0.060	4	109.4490	0.004	4	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OMgC)(H)3	H(CHHO)	H(CHHO)	C(OMgC)(H)3	H(CHHO)	H(CHHO)	109.4601	0.080	88	109.4601	0.006	88	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OMgH)(H)3	H(CHHO)	H(CHHO)	C(OMgH)(H)3	H(CHHO)	H(CHHO)	109.3600	1.801	43	109.3600	3.245	43	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OMn2)(H)3	H(CHHO)	H(CHHO)	C(OMn2)(H)3	H(CHHO)	H(CHHO)	109.6691	1.846	20	109.6691	3.406	20	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OMnC)(H)3	H(CHHO)	H(CHHO)	C(OMnC)(H)3	H(CHHO)	H(CHHO)	109.4580	0.052	26	109.4580	0.003	26	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OMnH)(H)3	H(CHHO)	H(CHHO)	C(OMnH)(H)3	H(CHHO)	H(CHHO)	109.3766	2.061	246	109.3766	4.246	246	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OMo2)(H)3	H(CHHO)	H(CHHO)	C(OMo2)(H)3	H(CHHO)	H(CHHO)	109.0091	1.565	51	109.0091	2.449	51	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OMoC)(H)3	H(CHHO)	H(CHHO)	C(OMoC)(H)3	H(CHHO)	H(CHHO)	110.2014	3.913	11	110.2014	15.309	11	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OMoH)(H)3	H(CHHO)	H(CHHO)	C(OMoH)(H)3	H(CHHO)	H(CHHO)	109.4930	0.281	113	109.4930	0.079	113	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OMoNi)(H)3	H(CHHO)	H(CHHO)	C(OMoNi)(H)3	H(CHHO)	H(CHHO)	109.4805	0.032	4	109.4805	0.001	4	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(ONi2)(H)3	H(CHHO)	H(CHHO)	C(ONi2)(H)3	H(CHHO)	H(CHHO)	109.9332	4.408	10	109.9332	19.430	10	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(ONiC)(H)3	H(CHHO)	H(CHHO)	C(ONiC)(H)3	H(CHHO)	H(CHHO)	109.9814	2.701	48	109.9814	7.294	48	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(ONiH)(H)3	H(CHHO)	H(CHHO)	C(ONiH)(H)3	H(CHHO)	H(CHHO)	109.5459	1.998	322	109.5459	3.991	322	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OOs2)(H)3	H(CHHO)	H(CHHO)	C(OOs2)(H)3	H(CHHO)	H(CHHO)	109.4888	0.070	14	109.4888	0.005	14	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OOsH)(H)3	H(CHHO)	H(CHHO)	C(OOsH)(H)3	H(CHHO)	H(CHHO)	109.4657	0.022	3	109.4657	0.000	3	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OPd2)(H)3	H(CHHO)	H(CHHO)	C(OPd2)(H)3	H(CHHO)	H(CHHO)	109.4149	0.055	7	109.4149	0.003	7	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OPdC)(H)3	H(CHHO)	H(CHHO)	C(OPdC)(H)3	H(CHHO)	H(CHHO)	109.4698	0.054	22	109.4698	0.003	22	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OPdH)(H)3	H(CHHO)	H(CHHO)	C(OPdH)(H)3	H(CHHO)	H(CHHO)	109.4676	0.048	8	109.4676	0.002	8	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OPrC)(H)3	H(CHHO)	H(CHHO)	C(OPrC)(H)3	H(CHHO)	H(CHHO)	109.4437	0.086	6	109.4437	0.007	6	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OPt2)(H)3	H(CHHO)	H(CHHO)	C(OPt2)(H)3	H(CHHO)	H(CHHO)	109.4960	0.020	2	109.4960	0.000	2	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OPtB)(H)3	H(CHHO)	H(CHHO)	C(OPtB)(H)3	H(CHHO)	H(CHHO)	109.4923	0.047	4	109.4923	0.002	4	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OPtC)(H)3	H(CHHO)	H(CHHO)	C(OPtC)(H)3	H(CHHO)	H(CHHO)	109.3937	0.378	6	109.3937	0.143	6	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(ORe2)(H)3	H(CHHO)	H(CHHO)	C(ORe2)(H)3	H(CHHO)	H(CHHO)	109.4614	0.089	20	109.4614	0.008	20	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OReB)(H)3	H(CHHO)	H(CHHO)	C(OReB)(H)3	H(CHHO)	H(CHHO)	109.4652	0.038	6	109.4652	0.001	6	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OReC)(H)3	H(CHHO)	H(CHHO)	C(OReC)(H)3	H(CHHO)	H(CHHO)	109.3250	0.150	6	109.3250	0.022	6	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OReH)(H)3	H(CHHO)	H(CHHO)	C(OReH)(H)3	H(CHHO)	H(CHHO)	109.4604	0.065	8	109.4604	0.004	8	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(ORh2)(H)3	H(CHHO)	H(CHHO)	C(ORh2)(H)3	H(CHHO)	H(CHHO)	108.8774	3.288	5	108.8774	10.810	5	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(ORhC)(H)3	H(CHHO)	H(CHHO)	C(ORhC)(H)3	H(CHHO)	H(CHHO)	109.4865	0.008	2	109.4865	0.000	2	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(ORhH)(H)3	H(CHHO)	H(CHHO)	C(ORhH)(H)3	H(CHHO)	H(CHHO)	109.6496	4.582	14	109.6496	20.997	14	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(ORu2)(H)3	H(CHHO)	H(CHHO)	C(ORu2)(H)3	H(CHHO)	H(CHHO)	109.5252	0.895	14	109.5252	0.802	14	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(ORuC)(H)3	H(CHHO)	H(CHHO)	C(ORuC)(H)3	H(CHHO)	H(CHHO)	109.4797	0.054	19	109.4797	0.003	19	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(ORuH)(H)3	H(CHHO)	H(CHHO)	C(ORuH)(H)3	H(CHHO)	H(CHHO)	109.4750	0.040	14	109.4750	0.002	14	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OSbC)(H)3	H(CHHO)	H(CHHO)	C(OSbC)(H)3	H(CHHO)	H(CHHO)	109.4755	0.045	11	109.4755	0.002	11	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OSi2)(H)3	H(CHHO)	H(CHHO)	C(OSi2)(H)3	H(CHHO)	H(CHHO)	109.2490	0.349	8	109.2490	0.122	8	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OSiW)(H)3	H(CHHO)	H(CHHO)	C(OSiW)(H)3	H(CHHO)	H(CHHO)	108.6860	0.982	3	108.6860	0.965	3	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OSmC)(H)3	H(CHHO)	H(CHHO)	C(OSmC)(H)3	H(CHHO)	H(CHHO)	109.4855	0.015	2	109.4855	0.000	2	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OSn2)(H)3	H(CHHO)	H(CHHO)	C(OSn2)(H)3	H(CHHO)	H(CHHO)	109.4636	0.161	62	109.4636	0.026	62	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OSnC)(H)3	H(CHHO)	H(CHHO)	C(OSnC)(H)3	H(CHHO)	H(CHHO)	109.4777	0.052	12	109.4777	0.003	12	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OSnH)(H)3	H(CHHO)	H(CHHO)	C(OSnH)(H)3	H(CHHO)	H(CHHO)	109.4515	0.042	4	109.4515	0.002	4	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OSrC)(H)3	H(CHHO)	H(CHHO)	C(OSrC)(H)3	H(CHHO)	H(CHHO)	109.4720	0.049	25	109.4720	0.002	25	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OTaC)(H)3	H(CHHO)	H(CHHO)	C(OTaC)(H)3	H(CHHO)	H(CHHO)	109.4606	0.064	9	109.4606	0.004	9	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OTbH)(H)3	H(CHHO)	H(CHHO)	C(OTbH)(H)3	H(CHHO)	H(CHHO)	109.4470	0.034	3	109.4470	0.001	3	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OTi2)(H)3	H(CHHO)	H(CHHO)	C(OTi2)(H)3	H(CHHO)	H(CHHO)	109.4557	0.017	3	109.4557	0.000	3	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OTiC)(H)3	H(CHHO)	H(CHHO)	C(OTiC)(H)3	H(CHHO)	H(CHHO)	109.4582	0.033	11	109.4582	0.001	11	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OZn2)(H)3	H(CHHO)	H(CHHO)	C(OZn2)(H)3	H(CHHO)	H(CHHO)	109.4593	0.031	9	109.4593	0.001	9	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OZnC)(H)3	H(CHHO)	H(CHHO)	C(OZnC)(H)3	H(CHHO)	H(CHHO)	109.5018	0.043	6	109.5018	0.002	6	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OZnH)(H)3	H(CHHO)	H(CHHO)	C(OZnH)(H)3	H(CHHO)	H(CHHO)	109.4639	0.124	81	109.4639	0.015	81	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	C-4:	C-4:	C(OZrC)(H)3	H(CHHO)	H(CHHO)	C(OZrC)(H)3	H(CHHO)	H(CHHO)	109.5095	0.011	2	109.5095	0.000	2	109.4921	2.129	3496	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(O[5]B[5]2)(H)3	H(CO[5]HH)	H(CO[5]HH)	C(O[5]B[5]2)(H)3	H(CO[5]HH)	H(CO[5]HH)	109.4695	0.015	2	109.4695	0.000	2	109.4786	0.002	72	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(O[5]Nb[5,5]C[5])(H)3	H(CO[5]HH)	H(CO[5]HH)	C(O[5]Nb[5,5]C[5])(H)3	H(CO[5]HH)	H(CO[5]HH)	109.4605	0.045	6	109.4605	0.002	6	109.4786	0.002	72	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	O[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(O[5]Nb[5]C[5])(H)3	H(CO[5]HH)	H(CO[5]HH)	C(O[5]Nb[5]C[5])(H)3	H(CO[5]HH)	H(CO[5]HH)	109.4806	0.042	64	109.4806	0.002	64	109.4786	0.002	72	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	P-3:H-1:H-1:H-1:	C-4:	C-4:	C(PAs2)(H)3	H(CHHP)	H(CHHP)	C(PAs2)(H)3	H(CHHP)	H(CHHP)	109.4965	0.011	2	109.4965	0.000	2	109.4812	1.082	172	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	P-3:H-1:H-1:H-1:	C-4:	C-4:	C(PCC)(H)3	H(CHHP)	H(CHHP)	C(PCC)(H)3	H(CHHP)	H(CHHP)	109.4287	1.263	55	109.4287	1.595	55	109.4812	1.082	172	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	P-3:H-1:H-1:H-1:	C-4:	C-4:	C(PCP)(H)3	H(CHHP)	H(CHHP)	C(PCP)(H)3	H(CHHP)	H(CHHP)	109.4892	0.065	22	109.4892	0.004	22	109.4812	1.082	172	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	P-3:H-1:H-1:H-1:	C-4:	C-4:	C(PC[5]C)(H)3	H(CHHP)	H(CHHP)	C(PC[5]C)(H)3	H(CHHP)	H(CHHP)	109.4640	0.038	3	109.4640	0.001	3	109.4812	1.082	172	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	P-3:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]2)(H)3	H(CHHP)	H(CHHP)	110.0821	2.896	8	110.0821	8.384	8	109.4812	1.082	172	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	P-3:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]C)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]C)(H)3	H(CHHP)	H(CHHP)	109.4473	0.842	53	109.4473	0.709	53	109.4812	1.082	172	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	P-3:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[5])(H)3	H(CHHP)	H(CHHP)	C(PC[6a]C[5])(H)3	H(CHHP)	H(CHHP)	109.4793	0.038	3	109.4793	0.001	3	109.4812	1.082	172	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	P-3:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]Pt)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]Pt)(H)3	H(CHHP)	H(CHHP)	109.4737	0.057	13	109.4737	0.003	13	109.4812	1.082	172	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	P-3:H-1:H-1:H-1:	C-4:	C-4:	C(PMo2)(H)3	H(CHHP)	H(CHHP)	C(PMo2)(H)3	H(CHHP)	H(CHHP)	109.4337	0.026	3	109.4337	0.001	3	109.4812	1.082	172	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	P-3:H-1:H-1:H-1:	C-4:	C-4:	C(PPP)(H)3	H(CHHP)	H(CHHP)	C(PPP)(H)3	H(CHHP)	H(CHHP)	109.4780	0.042	10	109.4780	0.002	10	109.4812	1.082	172	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	P[5,5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(P[5,5]P[3,5,5]P[3x5])(H)3	H(CP[5,5]HH)	H(CP[5,5]HH)	C(P[5,5]P[3,5,5]P[3x5])(H)3	H(CP[5,5]HH)	H(CP[5,5]HH)	109.4595	0.074	2	109.4595	0.006	2	109.4595	0.006	2	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	P[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6a]2)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]C[5,6a]2)(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4635	0.046	2	109.4635	0.002	2	109.4743	0.002	11	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	P[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]P[5]2)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]P[5]2)(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4755	0.064	6	109.4755	0.004	6	109.4743	0.002	11	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	P[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]Si[5]C[5])(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]Si[5]C[5])(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4790	0.017	3	109.4790	0.000	3	109.4743	0.002	11	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(SCC)(Cl)(H)2	H(CClHS)	H(CClHS)	C(SCC)(Cl)(H)2	H(CClHS)	H(CClHS)	105.9460	0.000	1	105.9460	0.000	1	108.2857	2.835	6	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]C)(Cl)(H)2	H(CClHS)	H(CClHS)	C(SC[6a]C)(Cl)(H)2	H(CClHS)	H(CClHS)	108.0115	0.728	2	108.0115	0.529	2	108.2857	2.835	6	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]O)(Cl)(H)2	H(CClHS)	H(CClHS)	C(SC[6a]O)(Cl)(H)2	H(CClHS)	H(CClHS)	109.7880	1.870	2	109.7880	3.495	2	108.2857	2.835	6	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(SMo2)(Cl)(H)2	H(CClHS)	H(CClHS)	C(SMo2)(Cl)(H)2	H(CClHS)	H(CClHS)	108.1690	0.000	1	108.1690	0.000	1	108.2857	2.835	6	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SAgC)(H)3	H(CHHS)	H(CHHS)	C(SAgC)(H)3	H(CHHS)	H(CHHS)	109.4370	0.091	2	109.4370	0.008	2	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SAgIn)(H)3	H(CHHS)	H(CHHS)	C(SAgIn)(H)3	H(CHHS)	H(CHHS)	109.4755	0.038	4	109.4755	0.001	4	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SAlC)(H)3	H(CHHS)	H(CHHS)	C(SAlC)(H)3	H(CHHS)	H(CHHS)	109.4712	0.045	16	109.4712	0.002	16	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SBC)(H)3	H(CHHS)	H(CHHS)	C(SBC)(H)3	H(CHHS)	H(CHHS)	109.4893	0.704	40	109.4893	0.495	40	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SB[3,3,5,4x6]C)(H)3	H(CHHS)	H(CHHS)	C(SB[3,3,5,4x6]C)(H)3	H(CHHS)	H(CHHS)	109.4669	0.040	8	109.4669	0.002	8	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SB[3]C)(H)3	H(CHHS)	H(CHHS)	C(SB[3]C)(H)3	H(CHHS)	H(CHHS)	109.7993	8.182	6	109.7993	66.951	6	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SB[3x3,3x5,12x6]C)(H)3	H(CHHS)	H(CHHS)	C(SB[3x3,3x5,12x6]C)(H)3	H(CHHS)	H(CHHS)	109.4641	0.053	120	109.4641	0.003	120	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SB[3x3,5,5,6,6]C)(H)3	H(CHHS)	H(CHHS)	C(SB[3x3,5,5,6,6]C)(H)3	H(CHHS)	H(CHHS)	109.4920	0.042	4	109.4920	0.002	4	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SB[3x3,5,5,9x6]C)(H)3	H(CHHS)	H(CHHS)	C(SB[3x3,5,5,9x6]C)(H)3	H(CHHS)	H(CHHS)	109.4844	0.047	7	109.4844	0.002	7	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SB[4x3,3x5,12x6]C)(H)3	H(CHHS)	H(CHHS)	C(SB[4x3,3x5,12x6]C)(H)3	H(CHHS)	H(CHHS)	109.4456	0.043	5	109.4456	0.002	5	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SB[5]C)(H)3	H(CHHS)	H(CHHS)	C(SB[5]C)(H)3	H(CHHS)	H(CHHS)	109.4868	0.050	4	109.4868	0.003	4	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SB[5x3,5x5,20x6]C)(H)3	H(CHHS)	H(CHHS)	C(SB[5x3,5x5,20x6]C)(H)3	H(CHHS)	H(CHHS)	109.4808	0.040	37	109.4808	0.002	37	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SB[6]C)(H)3	H(CHHS)	H(CHHS)	C(SB[6]C)(H)3	H(CHHS)	H(CHHS)	109.4692	0.042	12	109.4692	0.002	12	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SBiC)(H)3	H(CHHS)	H(CHHS)	C(SBiC)(H)3	H(CHHS)	H(CHHS)	109.5513	0.317	12	109.5513	0.100	12	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SCC)(H)3	H(CHHS)	H(CHHS)	C(SCC)(H)3	H(CHHS)	H(CHHS)	109.3953	0.802	197	109.3953	0.643	197	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SCH)(H)3	H(CHHS)	H(CHHS)	C(SCH)(H)3	H(CHHS)	H(CHHS)	109.4910	0.048	11	109.4910	0.002	11	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SCN)(H)3	H(CHHS)	H(CHHS)	C(SCN)(H)3	H(CHHS)	H(CHHS)	109.4895	0.008	2	109.4895	0.000	2	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SCO)(H)3	H(CHHS)	H(CHHS)	C(SCO)(H)3	H(CHHS)	H(CHHS)	109.5908	0.851	3914	109.5908	0.724	3914	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SCV)(H)3	H(CHHS)	H(CHHS)	C(SCV)(H)3	H(CHHS)	H(CHHS)	109.4600	0.035	5	109.4600	0.001	5	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SCW)(H)3	H(CHHS)	H(CHHS)	C(SCW)(H)3	H(CHHS)	H(CHHS)	109.4806	0.085	52	109.4806	0.007	52	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[3,3,5,5,6,6]C)(H)3	H(CHHS)	H(CHHS)	C(SC[3,3,5,5,6,6]C)(H)3	H(CHHS)	H(CHHS)	109.4800	0.051	3	109.4800	0.003	3	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[3x3,3x5,12x6]W)(H)3	H(CHHS)	H(CHHS)	C(SC[3x3,3x5,12x6]W)(H)3	H(CHHS)	H(CHHS)	109.4608	0.056	26	109.4608	0.003	26	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[5,5]O)(H)3	H(CHHS)	H(CHHS)	C(SC[5,5]O)(H)3	H(CHHS)	H(CHHS)	109.4975	0.027	4	109.4975	0.001	4	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[5,6]C)(H)3	H(CHHS)	H(CHHS)	C(SC[5,6]C)(H)3	H(CHHS)	H(CHHS)	109.4916	0.039	5	109.4916	0.001	5	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[5]C)(H)3	H(CHHS)	H(CHHS)	C(SC[5]C)(H)3	H(CHHS)	H(CHHS)	109.4783	0.036	35	109.4783	0.001	35	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[5]Pd)(H)3	H(CHHS)	H(CHHS)	C(SC[5]Pd)(H)3	H(CHHS)	H(CHHS)	109.4850	0.066	2	109.4850	0.004	2	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[5]Pt)(H)3	H(CHHS)	H(CHHS)	C(SC[5]Pt)(H)3	H(CHHS)	H(CHHS)	109.4435	0.061	6	109.4435	0.004	6	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[5]W)(H)3	H(CHHS)	H(CHHS)	C(SC[5]W)(H)3	H(CHHS)	H(CHHS)	109.4976	0.044	5	109.4976	0.002	5	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[5a]Cr)(H)3	H(CHHS)	H(CHHS)	C(SC[5a]Cr)(H)3	H(CHHS)	H(CHHS)	109.4702	0.069	6	109.4702	0.005	6	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[5a]O)(H)3	H(CHHS)	H(CHHS)	C(SC[5a]O)(H)3	H(CHHS)	H(CHHS)	109.4736	0.038	218	109.4736	0.001	218	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[5x3,3x5,11x6]C)(H)3	H(CHHS)	H(CHHS)	C(SC[5x3,3x5,11x6]C)(H)3	H(CHHS)	H(CHHS)	109.4876	0.035	10	109.4876	0.001	10	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[5x3,5x5,20x6]Os)(H)3	H(CHHS)	H(CHHS)	C(SC[5x3,5x5,20x6]Os)(H)3	H(CHHS)	H(CHHS)	109.4660	0.082	15	109.4660	0.007	15	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6]C)(H)3	H(CHHS)	H(CHHS)	C(SC[6]C)(H)3	H(CHHS)	H(CHHS)	109.4626	0.039	10	109.4626	0.002	10	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6]O)(H)3	H(CHHS)	H(CHHS)	C(SC[6]O)(H)3	H(CHHS)	H(CHHS)	109.4954	0.046	5	109.4954	0.002	5	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6]Y)(H)3	H(CHHS)	H(CHHS)	C(SC[6]Y)(H)3	H(CHHS)	H(CHHS)	109.5087	0.039	3	109.5087	0.002	3	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]2)(H)3	H(CHHS)	H(CHHS)	C(SC[6a]2)(H)3	H(CHHS)	H(CHHS)	109.8238	1.080	17	109.8238	1.166	17	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]C)(H)3	H(CHHS)	H(CHHS)	C(SC[6a]C)(H)3	H(CHHS)	H(CHHS)	109.4799	0.114	59	109.4799	0.013	59	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]Co)(H)3	H(CHHS)	H(CHHS)	C(SC[6a]Co)(H)3	H(CHHS)	H(CHHS)	109.4748	0.063	5	109.4748	0.004	5	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]Cu)(H)3	H(CHHS)	H(CHHS)	C(SC[6a]Cu)(H)3	H(CHHS)	H(CHHS)	109.4716	0.049	25	109.4716	0.002	25	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]Fe)(H)3	H(CHHS)	H(CHHS)	C(SC[6a]Fe)(H)3	H(CHHS)	H(CHHS)	109.4654	0.039	26	109.4654	0.001	26	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]Ir)(H)3	H(CHHS)	H(CHHS)	C(SC[6a]Ir)(H)3	H(CHHS)	H(CHHS)	109.4429	0.049	14	109.4429	0.002	14	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]Li)(H)3	H(CHHS)	H(CHHS)	C(SC[6a]Li)(H)3	H(CHHS)	H(CHHS)	109.5497	0.058	3	109.5497	0.003	3	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]Mg)(H)3	H(CHHS)	H(CHHS)	C(SC[6a]Mg)(H)3	H(CHHS)	H(CHHS)	109.4688	0.043	17	109.4688	0.002	17	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]Mn)(H)3	H(CHHS)	H(CHHS)	C(SC[6a]Mn)(H)3	H(CHHS)	H(CHHS)	109.4728	0.031	6	109.4728	0.001	6	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]N)(H)3	H(CHHS)	H(CHHS)	C(SC[6a]N)(H)3	H(CHHS)	H(CHHS)	109.4680	0.055	3	109.4680	0.003	3	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]Ni)(H)3	H(CHHS)	H(CHHS)	C(SC[6a]Ni)(H)3	H(CHHS)	H(CHHS)	109.5579	2.157	18	109.5579	4.654	18	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]O)(H)3	H(CHHS)	H(CHHS)	C(SC[6a]O)(H)3	H(CHHS)	H(CHHS)	109.6893	1.265	58	109.6893	1.600	58	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]Os)(H)3	H(CHHS)	H(CHHS)	C(SC[6a]Os)(H)3	H(CHHS)	H(CHHS)	100.8430	15.573	3	100.8430	242.503	3	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]Pd)(H)3	H(CHHS)	H(CHHS)	C(SC[6a]Pd)(H)3	H(CHHS)	H(CHHS)	109.7949	2.231	70	109.7949	4.979	70	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]Pt)(H)3	H(CHHS)	H(CHHS)	C(SC[6a]Pt)(H)3	H(CHHS)	H(CHHS)	109.4825	0.056	14	109.4825	0.003	14	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]Re)(H)3	H(CHHS)	H(CHHS)	C(SC[6a]Re)(H)3	H(CHHS)	H(CHHS)	109.4827	0.018	3	109.4827	0.000	3	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]Rh)(H)3	H(CHHS)	H(CHHS)	C(SC[6a]Rh)(H)3	H(CHHS)	H(CHHS)	109.4658	0.058	19	109.4658	0.003	19	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]Ru)(H)3	H(CHHS)	H(CHHS)	C(SC[6a]Ru)(H)3	H(CHHS)	H(CHHS)	109.4558	0.051	30	109.4558	0.003	30	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]Sn)(H)3	H(CHHS)	H(CHHS)	C(SC[6a]Sn)(H)3	H(CHHS)	H(CHHS)	109.4606	0.084	8	109.4606	0.007	8	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SCoC)(H)3	H(CHHS)	H(CHHS)	C(SCoC)(H)3	H(CHHS)	H(CHHS)	109.6854	1.808	11	109.6854	3.267	11	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SCrC)(H)3	H(CHHS)	H(CHHS)	C(SCrC)(H)3	H(CHHS)	H(CHHS)	109.4545	0.039	15	109.4545	0.002	15	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SCuC)(H)3	H(CHHS)	H(CHHS)	C(SCuC)(H)3	H(CHHS)	H(CHHS)	109.5079	0.310	39	109.5079	0.096	39	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SFe2)(H)3	H(CHHS)	H(CHHS)	C(SFe2)(H)3	H(CHHS)	H(CHHS)	109.4531	0.073	51	109.4531	0.005	51	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SFeC)(H)3	H(CHHS)	H(CHHS)	C(SFeC)(H)3	H(CHHS)	H(CHHS)	109.4794	0.041	19	109.4794	0.002	19	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SGaC)(H)3	H(CHHS)	H(CHHS)	C(SGaC)(H)3	H(CHHS)	H(CHHS)	109.4977	0.049	6	109.4977	0.002	6	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SGeC)(H)3	H(CHHS)	H(CHHS)	C(SGeC)(H)3	H(CHHS)	H(CHHS)	109.4653	0.045	3	109.4653	0.002	3	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SGeRu)(H)3	H(CHHS)	H(CHHS)	C(SGeRu)(H)3	H(CHHS)	H(CHHS)	109.4345	0.083	2	109.4345	0.007	2	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SHfC)(H)3	H(CHHS)	H(CHHS)	C(SHfC)(H)3	H(CHHS)	H(CHHS)	109.3623	1.234	6	109.3623	1.524	6	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SIrC)(H)3	H(CHHS)	H(CHHS)	C(SIrC)(H)3	H(CHHS)	H(CHHS)	109.4687	0.020	3	109.4687	0.000	3	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SLiC)(H)3	H(CHHS)	H(CHHS)	C(SLiC)(H)3	H(CHHS)	H(CHHS)	109.4640	0.025	2	109.4640	0.001	2	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SLu2)(H)3	H(CHHS)	H(CHHS)	C(SLu2)(H)3	H(CHHS)	H(CHHS)	109.3320	0.013	2	109.3320	0.000	2	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SMnC)(H)3	H(CHHS)	H(CHHS)	C(SMnC)(H)3	H(CHHS)	H(CHHS)	109.4803	0.021	6	109.4803	0.000	6	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SMnRu)(H)3	H(CHHS)	H(CHHS)	C(SMnRu)(H)3	H(CHHS)	H(CHHS)	109.4667	0.044	3	109.4667	0.002	3	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SMo2)(H)3	H(CHHS)	H(CHHS)	C(SMo2)(H)3	H(CHHS)	H(CHHS)	109.4764	0.044	37	109.4764	0.002	37	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SMoC)(H)3	H(CHHS)	H(CHHS)	C(SMoC)(H)3	H(CHHS)	H(CHHS)	109.4675	0.053	37	109.4675	0.003	37	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SMoRh)(H)3	H(CHHS)	H(CHHS)	C(SMoRh)(H)3	H(CHHS)	H(CHHS)	109.4376	0.210	7	109.4376	0.044	7	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SMoW)(H)3	H(CHHS)	H(CHHS)	C(SMoW)(H)3	H(CHHS)	H(CHHS)	109.4849	0.058	21	109.4849	0.003	21	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SNN)(H)3	H(CHHS)	H(CHHS)	C(SNN)(H)3	H(CHHS)	H(CHHS)	111.4843	3.504	3	111.4843	12.276	3	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SN[5]N)(H)3	H(CHHS)	H(CHHS)	C(SN[5]N)(H)3	H(CHHS)	H(CHHS)	109.4895	0.013	2	109.4895	0.000	2	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SN[5]O)(H)3	H(CHHS)	H(CHHS)	C(SN[5]O)(H)3	H(CHHS)	H(CHHS)	109.4685	0.047	2	109.4685	0.002	2	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SNbC)(H)3	H(CHHS)	H(CHHS)	C(SNbC)(H)3	H(CHHS)	H(CHHS)	109.4804	0.044	17	109.4804	0.002	17	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SNb[3,3]C)(H)3	H(CHHS)	H(CHHS)	C(SNb[3,3]C)(H)3	H(CHHS)	H(CHHS)	109.4700	0.030	5	109.4700	0.001	5	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SNb[3x3]C)(H)3	H(CHHS)	H(CHHS)	C(SNb[3x3]C)(H)3	H(CHHS)	H(CHHS)	109.4630	0.033	5	109.4630	0.001	5	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SNi2)(H)3	H(CHHS)	H(CHHS)	C(SNi2)(H)3	H(CHHS)	H(CHHS)	109.4668	0.063	5	109.4668	0.004	5	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SNiC)(H)3	H(CHHS)	H(CHHS)	C(SNiC)(H)3	H(CHHS)	H(CHHS)	109.3492	1.009	49	109.3492	1.019	49	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SOsC)(H)3	H(CHHS)	H(CHHS)	C(SOsC)(H)3	H(CHHS)	H(CHHS)	109.4762	0.032	10	109.4762	0.001	10	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SPd2)(H)3	H(CHHS)	H(CHHS)	C(SPd2)(H)3	H(CHHS)	H(CHHS)	109.4410	0.110	2	109.4410	0.012	2	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SPdC)(H)3	H(CHHS)	H(CHHS)	C(SPdC)(H)3	H(CHHS)	H(CHHS)	109.5330	0.885	91	109.5330	0.784	91	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SPt2)(H)3	H(CHHS)	H(CHHS)	C(SPt2)(H)3	H(CHHS)	H(CHHS)	109.4505	0.056	25	109.4505	0.003	25	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SPtC)(H)3	H(CHHS)	H(CHHS)	C(SPtC)(H)3	H(CHHS)	H(CHHS)	109.4615	0.081	226	109.4615	0.007	226	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SReC)(H)3	H(CHHS)	H(CHHS)	C(SReC)(H)3	H(CHHS)	H(CHHS)	109.5061	0.055	9	109.5061	0.003	9	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SRhC)(H)3	H(CHHS)	H(CHHS)	C(SRhC)(H)3	H(CHHS)	H(CHHS)	109.4640	0.059	32	109.4640	0.003	32	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SRu2)(H)3	H(CHHS)	H(CHHS)	C(SRu2)(H)3	H(CHHS)	H(CHHS)	109.1244	0.767	30	109.1244	0.588	30	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SRuC)(H)3	H(CHHS)	H(CHHS)	C(SRuC)(H)3	H(CHHS)	H(CHHS)	109.4832	0.617	68	109.4832	0.381	68	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SRuH)(H)3	H(CHHS)	H(CHHS)	C(SRuH)(H)3	H(CHHS)	H(CHHS)	109.4585	0.023	2	109.4585	0.001	2	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SRuN)(H)3	H(CHHS)	H(CHHS)	C(SRuN)(H)3	H(CHHS)	H(CHHS)	109.2227	0.912	3	109.2227	0.832	3	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SRuS)(H)3	H(CHHS)	H(CHHS)	C(SRuS)(H)3	H(CHHS)	H(CHHS)	109.5120	0.000	1	109.5120	0.000	1	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SSeC)(H)3	H(CHHS)	H(CHHS)	C(SSeC)(H)3	H(CHHS)	H(CHHS)	109.4676	0.049	13	109.4676	0.002	13	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SSnC)(H)3	H(CHHS)	H(CHHS)	C(SSnC)(H)3	H(CHHS)	H(CHHS)	109.4895	0.031	4	109.4895	0.001	4	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(STeC)(H)3	H(CHHS)	H(CHHS)	C(STeC)(H)3	H(CHHS)	H(CHHS)	109.4569	0.114	27	109.4569	0.013	27	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(STiC)(H)3	H(CHHS)	H(CHHS)	C(STiC)(H)3	H(CHHS)	H(CHHS)	109.4517	0.028	3	109.4517	0.001	3	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SZn2)(H)3	H(CHHS)	H(CHHS)	C(SZn2)(H)3	H(CHHS)	H(CHHS)	109.5127	0.170	15	109.5127	0.029	15	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SZnC)(H)3	H(CHHS)	H(CHHS)	C(SZnC)(H)3	H(CHHS)	H(CHHS)	109.4262	2.213	38	109.4262	4.897	38	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:H-1:	C-4:	C-4:	C(SZrC)(H)3	H(CHHS)	H(CHHS)	C(SZrC)(H)3	H(CHHS)	H(CHHS)	109.5069	0.099	14	109.5069	0.010	14	109.5470	0.814	6180	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S-3:H-1:H-1:S-1:	C-4:	C-4:	C(SRuC)(H)2(S)	H(CHSS)	H(CHSS)	C(SRuC)(H)2(S)	H(CHSS)	H(CHSS)	109.7730	0.000	1	109.7730	0.000	1	109.7730	0.000	1	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(S[5]C[5,6a]C[5])(H)3	H(CS[5]HH)	H(CS[5]HH)	C(S[5]C[5,6a]C[5])(H)3	H(CS[5]HH)	H(CS[5]HH)	109.4753	0.033	3	109.4753	0.001	3	109.4654	0.001	29	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(S[5]C[5]2)(H)3	H(CS[5]HH)	H(CS[5]HH)	C(S[5]C[5]2)(H)3	H(CS[5]HH)	H(CS[5]HH)	109.4930	0.034	6	109.4930	0.001	6	109.4654	0.001	29	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(S[5]Nb[5,5]C[5])(H)3	H(CS[5]HH)	H(CS[5]HH)	C(S[5]Nb[5,5]C[5])(H)3	H(CS[5]HH)	H(CS[5]HH)	109.4576	0.041	5	109.4576	0.002	5	109.4654	0.001	29	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(S[5]Nb[5]C[5])(H)3	H(CS[5]HH)	H(CS[5]HH)	C(S[5]Nb[5]C[5])(H)3	H(CS[5]HH)	H(CS[5]HH)	109.4551	0.028	15	109.4551	0.001	15	109.4654	0.001	29	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(S[6]B[3x6]C[6])(H)3	H(CS[6]HH)	H(CS[6]HH)	C(S[6]B[3x6]C[6])(H)3	H(CS[6]HH)	H(CS[6]HH)	109.4775	0.013	4	109.4775	0.000	4	109.4836	0.000	7	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	S[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(S[6]B[6]C[6])(H)3	H(CS[6]HH)	H(CS[6]HH)	C(S[6]B[6]C[6])(H)3	H(CS[6]HH)	H(CS[6]HH)	109.4917	0.028	3	109.4917	0.001	3	109.4836	0.000	7	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se-3:H-1:H-1:H-1:	C-4:	C-4:	C(SeAlC)(H)3	H(CSeHH)	H(CSeHH)	C(SeAlC)(H)3	H(CSeHH)	H(CSeHH)	109.4887	0.058	12	109.4887	0.003	12	109.4335	3.354	186	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se-3:H-1:H-1:H-1:	C-4:	C-4:	C(SeBiC)(H)3	H(CSeHH)	H(CSeHH)	C(SeBiC)(H)3	H(CSeHH)	H(CSeHH)	106.6424	4.480	8	106.6424	20.072	8	109.4335	3.354	186	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se-3:H-1:H-1:H-1:	C-4:	C-4:	C(SeCC)(H)3	H(CSeHH)	H(CSeHH)	C(SeCC)(H)3	H(CSeHH)	H(CSeHH)	109.4592	0.044	12	109.4592	0.002	12	109.4335	3.354	186	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se-3:H-1:H-1:H-1:	C-4:	C-4:	C(SeCO)(H)3	H(CSeHH)	H(CSeHH)	C(SeCO)(H)3	H(CSeHH)	H(CSeHH)	112.2495	3.928	6	112.2495	15.430	6	109.4335	3.354	186	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se-3:H-1:H-1:H-1:	C-4:	C-4:	C(SeC[5,6]C)(H)3	H(CSeHH)	H(CSeHH)	C(SeC[5,6]C)(H)3	H(CSeHH)	H(CSeHH)	109.4847	0.045	3	109.4847	0.002	3	109.4335	3.354	186	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se-3:H-1:H-1:H-1:	C-4:	C-4:	C(SeC[5a]Pd)(H)3	H(CSeHH)	H(CSeHH)	C(SeC[5a]Pd)(H)3	H(CSeHH)	H(CSeHH)	109.4870	0.021	3	109.4870	0.000	3	109.4335	3.354	186	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se-3:H-1:H-1:H-1:	C-4:	C-4:	C(SeC[6a]2)(H)3	H(CSeHH)	H(CSeHH)	C(SeC[6a]2)(H)3	H(CSeHH)	H(CSeHH)	109.4728	0.046	11	109.4728	0.002	11	109.4335	3.354	186	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se-3:H-1:H-1:H-1:	C-4:	C-4:	C(SeC[6a]O)(H)3	H(CSeHH)	H(CSeHH)	C(SeC[6a]O)(H)3	H(CSeHH)	H(CSeHH)	109.4679	0.046	9	109.4679	0.002	9	109.4335	3.354	186	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se-3:H-1:H-1:H-1:	C-4:	C-4:	C(SeC[6a]Pd)(H)3	H(CSeHH)	H(CSeHH)	C(SeC[6a]Pd)(H)3	H(CSeHH)	H(CSeHH)	109.5027	0.066	7	109.5027	0.004	7	109.4335	3.354	186	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se-3:H-1:H-1:H-1:	C-4:	C-4:	C(SeC[6a]Pt)(H)3	H(CSeHH)	H(CSeHH)	C(SeC[6a]Pt)(H)3	H(CSeHH)	H(CSeHH)	109.4600	0.053	5	109.4600	0.003	5	109.4335	3.354	186	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se-3:H-1:H-1:H-1:	C-4:	C-4:	C(SeC[6a]Te)(H)3	H(CSeHH)	H(CSeHH)	C(SeC[6a]Te)(H)3	H(CSeHH)	H(CSeHH)	109.4945	0.023	2	109.4945	0.001	2	109.4335	3.354	186	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se-3:H-1:H-1:H-1:	C-4:	C-4:	C(SeFe2)(H)3	H(CSeHH)	H(CSeHH)	C(SeFe2)(H)3	H(CSeHH)	H(CSeHH)	109.4917	0.024	3	109.4917	0.001	3	109.4335	3.354	186	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se-3:H-1:H-1:H-1:	C-4:	C-4:	C(SeGaC)(H)3	H(CSeHH)	H(CSeHH)	C(SeGaC)(H)3	H(CSeHH)	H(CSeHH)	109.4723	0.033	3	109.4723	0.001	3	109.4335	3.354	186	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se-3:H-1:H-1:H-1:	C-4:	C-4:	C(SeHfC)(H)3	H(CSeHH)	H(CSeHH)	C(SeHfC)(H)3	H(CSeHH)	H(CSeHH)	109.3548	0.235	6	109.3548	0.055	6	109.4335	3.354	186	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se-3:H-1:H-1:H-1:	C-4:	C-4:	C(SeInC)(H)3	H(CSeHH)	H(CSeHH)	C(SeInC)(H)3	H(CSeHH)	H(CSeHH)	109.4923	0.025	3	109.4923	0.001	3	109.4335	3.354	186	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se-3:H-1:H-1:H-1:	C-4:	C-4:	C(SeMoC)(H)3	H(CSeHH)	H(CSeHH)	C(SeMoC)(H)3	H(CSeHH)	H(CSeHH)	109.4758	0.020	4	109.4758	0.000	4	109.4335	3.354	186	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se-3:H-1:H-1:H-1:	C-4:	C-4:	C(SeNbC)(H)3	H(CSeHH)	H(CSeHH)	C(SeNbC)(H)3	H(CSeHH)	H(CSeHH)	109.4877	0.038	3	109.4877	0.001	3	109.4335	3.354	186	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se-3:H-1:H-1:H-1:	C-4:	C-4:	C(SePd2)(H)3	H(CSeHH)	H(CSeHH)	C(SePd2)(H)3	H(CSeHH)	H(CSeHH)	109.4603	0.043	4	109.4603	0.002	4	109.4335	3.354	186	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se-3:H-1:H-1:H-1:	C-4:	C-4:	C(SePtC)(H)3	H(CSeHH)	H(CSeHH)	C(SePtC)(H)3	H(CSeHH)	H(CSeHH)	109.4618	0.061	15	109.4618	0.004	15	109.4335	3.354	186	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se-3:H-1:H-1:H-1:	C-4:	C-4:	C(SeRhC)(H)3	H(CSeHH)	H(CSeHH)	C(SeRhC)(H)3	H(CSeHH)	H(CSeHH)	109.4536	0.048	9	109.4536	0.002	9	109.4335	3.354	186	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se-3:H-1:H-1:H-1:	C-4:	C-4:	C(SeRu2)(H)3	H(CSeHH)	H(CSeHH)	C(SeRu2)(H)3	H(CSeHH)	H(CSeHH)	110.3163	2.135	9	110.3163	4.558	9	109.4335	3.354	186	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se-3:H-1:H-1:H-1:	C-4:	C-4:	C(SeRuC)(H)3	H(CSeHH)	H(CSeHH)	C(SeRuC)(H)3	H(CSeHH)	H(CSeHH)	109.1085	3.346	23	109.1085	11.194	23	109.4335	3.354	186	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se-3:H-1:H-1:H-1:	C-4:	C-4:	C(SeSeC)(H)3	H(CSeHH)	H(CSeHH)	C(SeSeC)(H)3	H(CSeHH)	H(CSeHH)	109.4938	0.031	4	109.4938	0.001	4	109.4335	3.354	186	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se-3:H-1:H-1:H-1:	C-4:	C-4:	C(SeSeTa)(H)3	H(CSeHH)	H(CSeHH)	C(SeSeTa)(H)3	H(CSeHH)	H(CSeHH)	109.4750	0.031	4	109.4750	0.001	4	109.4335	3.354	186	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se-3:H-1:H-1:H-1:	C-4:	C-4:	C(SeTeC)(H)3	H(CSeHH)	H(CSeHH)	C(SeTeC)(H)3	H(CSeHH)	H(CSeHH)	109.4756	0.037	12	109.4756	0.001	12	109.4335	3.354	186	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se-3:H-1:H-1:H-1:	C-4:	C-4:	C(SeTiC)(H)3	H(CSeHH)	H(CSeHH)	C(SeTiC)(H)3	H(CSeHH)	H(CSeHH)	109.4732	0.076	6	109.4732	0.006	6	109.4335	3.354	186	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se[5]-3:H-1:H-1:H-1:	C-4:	C-4:	C(Se[5]C[5]2)(H)3	H(CSe[5]HH)	H(CSe[5]HH)	C(Se[5]C[5]2)(H)3	H(CSe[5]HH)	H(CSe[5]HH)	109.4608	0.032	6	109.4608	0.001	6	109.4608	0.001	6	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Se[6]-3:H-1:H-1:H-1:	C-4:	C-4:	C(Se[6]C[6,6a]C[6])(H)3	H(CSe[6]HH)	H(CSe[6]HH)	C(Se[6]C[6,6a]C[6])(H)3	H(CSe[6]HH)	H(CSe[6]HH)	107.7835	1.308	6	107.7835	1.711	6	107.7835	1.711	6	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Si-3:H-1:H-1:H-1:	C-4:	C-4:	C(SiCC)(H)3	H(CSiHH)	H(CSiHH)	C(SiCC)(H)3	H(CSiHH)	H(CSiHH)	109.4552	0.185	72	109.4552	0.034	72	109.0573	1.732	156	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Si-3:H-1:H-1:H-1:	C-4:	C-4:	C(SiCO)(H)3	H(CSiHH)	H(CSiHH)	C(SiCO)(H)3	H(CSiHH)	H(CSiHH)	109.5961	0.363	12	109.5961	0.132	12	109.0573	1.732	156	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Si-3:H-1:H-1:H-1:	C-4:	C-4:	C(SiCW)(H)3	H(CSiHH)	H(CSiHH)	C(SiCW)(H)3	H(CSiHH)	H(CSiHH)	106.9177	2.295	24	106.9177	5.265	24	109.0573	1.732	156	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Si-3:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5,5]C)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5,5]C)(H)3	H(CSiHH)	H(CSiHH)	109.4591	0.033	7	109.4591	0.001	7	109.0573	1.732	156	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Si-3:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]C)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]C)(H)3	H(CSiHH)	H(CSiHH)	109.4807	0.041	11	109.4807	0.002	11	109.0573	1.732	156	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Si-3:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]Si)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]Si)(H)3	H(CSiHH)	H(CSiHH)	109.5118	0.042	5	109.5118	0.002	5	109.0573	1.732	156	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Si-3:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]2)(H)3	H(CSiHH)	H(CSiHH)	109.4710	0.050	3	109.4710	0.002	3	109.0573	1.732	156	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Si-3:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]C)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]C)(H)3	H(CSiHH)	H(CSiHH)	109.4645	0.066	14	109.4645	0.004	14	109.0573	1.732	156	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Si-3:H-1:H-1:H-1:	C-4:	C-4:	C(SiRuC)(H)3	H(CSiHH)	H(CSiHH)	C(SiRuC)(H)3	H(CSiHH)	H(CSiHH)	109.4874	0.040	5	109.4874	0.002	5	109.0573	1.732	156	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:1:1:1:	4:	4:	Si-3:H-1:H-1:H-1:	C-4:	C-4:	C(SiSiC)(H)3	H(CSiHH)	H(CSiHH)	C(SiSiC)(H)3	H(CSiHH)	H(CSiHH)	108.1897	2.062	3	108.1897	4.253	3	109.0573	1.732	156	109.3629	2.150	290196	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:C-2:H-1:H-1:	C-4:	C-4:	C(CCC)(CN)(H)2	H(CCCH)	H(CCCH)	C(CCC)(CN)(H)2	H(CCCH)	H(CCCH)	107.8905	0.186	6	107.8905	0.035	6	107.7127	14.626	53	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:C-2:H-1:H-1:	C-4:	C-4:	C(CCH)(CH)(H)2	H(CCCH)	H(CCCH)	C(CCH)(CH)(H)2	H(CCCH)	H(CCCH)	85.0018	0.000	1	85.0018	0.000	1	107.7127	14.626	53	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:C-2:H-1:H-1:	C-4:	C-4:	C(CCH)(CN)(H)2	H(CCCH)	H(CCCH)	C(CCH)(CN)(H)2	H(CCCH)	H(CCCH)	108.1645	1.199	2	108.1645	1.437	2	107.7127	14.626	53	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:C-2:H-1:H-1:	C-4:	C-4:	C(CCN)(CN)(H)2	H(CCCH)	H(CCCH)	C(CCN)(CN)(H)2	H(CCCH)	H(CCCH)	119.9980	0.000	1	119.9980	0.000	1	107.7127	14.626	53	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:C-2:H-1:H-1:	C-4:	C-4:	C(CCO)(CN)(H)2	H(CCCH)	H(CCCH)	C(CCO)(CN)(H)2	H(CCCH)	H(CCCH)	107.9310	0.000	1	107.9310	0.000	1	107.7127	14.626	53	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:C-2:H-1:H-1:	C-4:	C-4:	C(CC[3]C)(CC)(H)2	H(CCCH)	H(CCCH)	C(CC[3]C)(CC)(H)2	H(CCCH)	H(CCCH)	108.3165	0.050	2	108.3165	0.003	2	107.7127	14.626	53	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:C-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]O)(CN)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]O)(CN)(H)2	H(CCCH)	H(CCCH)	107.8305	0.022	2	107.8305	0.000	2	107.7127	14.626	53	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:C-2:H-1:H-1:	C-4:	C-4:	C(CC[6]C)(CC)(H)2	H(CCCH)	H(CCCH)	C(CC[6]C)(CC)(H)2	H(CCCH)	H(CCCH)	107.4420	0.000	1	107.4420	0.000	1	107.7127	14.626	53	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:C-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(CN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]O)(CN)(H)2	H(CCCH)	H(CCCH)	108.2680	0.000	2	108.2680	0.000	2	107.7127	14.626	53	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:C-2:H-1:H-1:	C-4:	C-4:	C(CHH)(CC)(H)2	H(CCCH)	H(CCCH)	C(CHH)(CC)(H)2	H(CCCH)	H(CCCH)	107.0755	2.142	2	107.0755	4.587	2	107.7127	14.626	53	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:C-2:H-1:H-1:	C-4:	C-4:	C(CHH)(CN)(H)2	H(CCCH)	H(CCCH)	C(CHH)(CN)(H)2	H(CCCH)	H(CCCH)	110.0160	0.000	1	110.0160	0.000	1	107.7127	14.626	53	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:C-2:H-1:H-1:	C-4:	C-4:	C(CNO)(CN)(H)2	H(CCCH)	H(CCCH)	C(CNO)(CN)(H)2	H(CCCH)	H(CCCH)	108.0204	1.800	23	108.0204	3.239	23	107.7127	14.626	53	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:C-2:H-1:H-1:	C-4:	C-4:	C(CN[6]O)(CN)(H)2	H(CCCH)	H(CCCH)	C(CN[6]O)(CN)(H)2	H(CCCH)	H(CCCH)	108.0160	0.000	1	108.0160	0.000	1	107.7127	14.626	53	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:C-2:H-1:H-1:	C-4:	C-4:	C(COO)(CN)(H)2	H(CCCH)	H(CCCH)	C(COO)(CN)(H)2	H(CCCH)	H(CCCH)	107.4060	0.860	8	107.4060	0.739	8	107.7127	14.626	53	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:H-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(HH)(H)2	H(CCHH)	H(CCHH)	C(CC[6a]N)(HH)(H)2	H(CCHH)	H(CCHH)	109.4830	0.000	1	109.4830	0.000	1	109.4830	0.000	1	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:N-2:H-1:H-1:	C-4:	C-4:	C(CCC)(NC)(H)2	H(CCHN)	H(CCHN)	C(CCC)(NC)(H)2	H(CCHN)	H(CCHN)	108.0020	0.241	3	108.0020	0.058	3	107.9502	0.408	51	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:N-2:H-1:H-1:	C-4:	C-4:	C(CCH)(NC)(H)2	H(CCHN)	H(CCHN)	C(CCH)(NC)(H)2	H(CCHN)	H(CCHN)	107.4630	0.663	2	107.4630	0.440	2	107.9502	0.408	51	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:N-2:H-1:H-1:	C-4:	C-4:	C(CCH)(NN)(H)2	H(CCHN)	H(CCHN)	C(CCH)(NN)(H)2	H(CCHN)	H(CCHN)	107.8700	0.131	4	107.8700	0.017	4	107.9502	0.408	51	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:N-2:H-1:H-1:	C-4:	C-4:	C(CCI)(NN)(H)2	H(CCHN)	H(CCHN)	C(CCI)(NN)(H)2	H(CCHN)	H(CCHN)	108.0447	0.139	4	108.0447	0.019	4	107.9502	0.408	51	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:N-2:H-1:H-1:	C-4:	C-4:	C(CCO)(NC)(H)2	H(CCHN)	H(CCHN)	C(CCO)(NC)(H)2	H(CCHN)	H(CCHN)	107.7025	0.466	2	107.7025	0.217	2	107.9502	0.408	51	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:N-2:H-1:H-1:	C-4:	C-4:	C(CC[5]H)(NN)(H)2	H(CCHN)	H(CCHN)	C(CC[5]H)(NN)(H)2	H(CCHN)	H(CCHN)	107.9690	0.000	1	107.9690	0.000	1	107.9502	0.408	51	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:N-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(NC[6a])(H)2	H(CCHN)	H(CCHN)	C(CC[6a]O)(NC[6a])(H)2	H(CCHN)	H(CCHN)	108.0420	0.000	1	108.0420	0.000	1	107.9502	0.408	51	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:N-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(NN)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]O)(NN)(H)2	H(CCHN)	H(CCHN)	107.7464	0.252	10	107.7464	0.064	10	107.9502	0.408	51	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:N-2:H-1:H-1:	C-4:	C-4:	C(CNO)(NC)(H)2	H(CCHN)	H(CCHN)	C(CNO)(NC)(H)2	H(CCHN)	H(CCHN)	108.4090	1.152	7	108.4090	1.326	7	107.9502	0.408	51	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:N-2:H-1:H-1:	C-4:	C-4:	C(CNO)(NH)(H)2	H(CCHN)	H(CCHN)	C(CNO)(NH)(H)2	H(CCHN)	H(CCHN)	107.4460	0.000	1	107.4460	0.000	1	107.9502	0.408	51	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:N-2:H-1:H-1:	C-4:	C-4:	C(CNO)(NN)(H)2	H(CCHN)	H(CCHN)	C(CNO)(NN)(H)2	H(CCHN)	H(CCHN)	108.0580	0.098	3	108.0580	0.010	3	107.9502	0.408	51	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:N-2:H-1:H-1:	C-4:	C-4:	C(CNO)(NS)(H)2	H(CCHN)	H(CCHN)	C(CNO)(NS)(H)2	H(CCHN)	H(CCHN)	107.7910	0.000	2	107.7910	0.000	2	107.9502	0.408	51	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:N-2:H-1:H-1:	C-4:	C-4:	C(CN[5]O)(NC)(H)2	H(CCHN)	H(CCHN)	C(CN[5]O)(NC)(H)2	H(CCHN)	H(CCHN)	108.2580	0.000	1	108.2580	0.000	1	107.9502	0.408	51	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:N-2:H-1:H-1:	C-4:	C-4:	C(CN[6]O)(NN)(H)2	H(CCHN)	H(CCHN)	C(CN[6]O)(NN)(H)2	H(CCHN)	H(CCHN)	107.9700	0.000	1	107.9700	0.000	1	107.9502	0.408	51	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:N-2:H-1:H-1:	C-4:	C-4:	C(COO)(NC)(H)2	H(CCHN)	H(CCHN)	C(COO)(NC)(H)2	H(CCHN)	H(CCHN)	107.9835	1.261	6	107.9835	1.589	6	107.9502	0.408	51	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:N-2:H-1:H-1:	C-4:	C-4:	C(COO)(NN)(H)2	H(CCHN)	H(CCHN)	C(COO)(NN)(H)2	H(CCHN)	H(CCHN)	107.9313	0.037	3	107.9313	0.001	3	107.9502	0.408	51	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CBC)(OH)(H)2	H(CCHO)	H(CCHO)	C(CBC)(OH)(H)2	H(CCHO)	H(CCHO)	108.5770	0.000	1	108.5770	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CCC)(OB)(H)2	H(CCHO)	H(CCHO)	C(CCC)(OB)(H)2	H(CCHO)	H(CCHO)	107.9340	0.000	1	107.9340	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CCC)(OC)(H)2	H(CCHO)	H(CCHO)	C(CCC)(OC)(H)2	H(CCHO)	H(CCHO)	108.2301	0.383	32	108.2301	0.147	32	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CCC)(OH)(H)2	H(CCHO)	H(CCHO)	C(CCC)(OH)(H)2	H(CCHO)	H(CCHO)	107.9344	0.742	27	107.9344	0.551	27	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CCC)(ON)(H)2	H(CCHO)	H(CCHO)	C(CCC)(ON)(H)2	H(CCHO)	H(CCHO)	111.1690	0.000	1	111.1690	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CCC)(OSi)(H)2	H(CCHO)	H(CCHO)	C(CCC)(OSi)(H)2	H(CCHO)	H(CCHO)	107.7065	0.009	2	107.7065	0.000	2	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CCH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CCH)(OC)(H)2	H(CCHO)	H(CCHO)	108.5300	1.089	86	108.5300	1.187	86	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CCH)(OFe)(H)2	H(CCHO)	H(CCHO)	C(CCH)(OFe)(H)2	H(CCHO)	H(CCHO)	107.7920	0.000	1	107.7920	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CCH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CCH)(OH)(H)2	H(CCHO)	H(CCHO)	108.4946	1.128	18	108.4946	1.272	18	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CCH)(OP)(H)2	H(CCHO)	H(CCHO)	C(CCH)(OP)(H)2	H(CCHO)	H(CCHO)	108.1755	0.082	4	108.1755	0.007	4	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CCH)(OS)(H)2	H(CCHO)	H(CCHO)	C(CCH)(OS)(H)2	H(CCHO)	H(CCHO)	106.6760	0.000	1	106.6760	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CCI)(OC)(H)2	H(CCHO)	H(CCHO)	C(CCI)(OC)(H)2	H(CCHO)	H(CCHO)	108.3740	0.000	1	108.3740	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CCI)(OH)(H)2	H(CCHO)	H(CCHO)	C(CCI)(OH)(H)2	H(CCHO)	H(CCHO)	104.1315	4.502	4	104.1315	20.270	4	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CCN)(OC)(H)2	H(CCHO)	H(CCHO)	C(CCN)(OC)(H)2	H(CCHO)	H(CCHO)	107.7390	0.000	1	107.7390	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CCN)(OH)(H)2	H(CCHO)	H(CCHO)	C(CCN)(OH)(H)2	H(CCHO)	H(CCHO)	108.0380	0.034	2	108.0380	0.001	2	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CCN)(ON)(H)2	H(CCHO)	H(CCHO)	C(CCN)(ON)(H)2	H(CCHO)	H(CCHO)	107.5822	0.292	13	107.5822	0.085	13	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CCN)(OPt)(H)2	H(CCHO)	H(CCHO)	C(CCN)(OPt)(H)2	H(CCHO)	H(CCHO)	107.4440	0.000	1	107.4440	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CCO)(OC)(H)2	H(CCHO)	H(CCHO)	C(CCO)(OC)(H)2	H(CCHO)	H(CCHO)	108.2503	1.325	18	108.2503	1.755	18	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CCO)(OH)(H)2	H(CCHO)	H(CCHO)	C(CCO)(OH)(H)2	H(CCHO)	H(CCHO)	107.7136	0.079	5	107.7136	0.006	5	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CCO)(OS)(H)2	H(CCHO)	H(CCHO)	C(CCO)(OS)(H)2	H(CCHO)	H(CCHO)	108.1190	0.013	2	108.1190	0.000	2	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CCP)(OH)(H)2	H(CCHO)	H(CCHO)	C(CCP)(OH)(H)2	H(CCHO)	H(CCHO)	107.9030	0.000	1	107.9030	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[3]O)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[3]O)(OH)(H)2	H(CCHO)	H(CCHO)	106.9200	0.000	1	106.9200	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[4]C)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[4]C)(OH)(H)2	H(CCHO)	H(CCHO)	107.5245	0.063	2	107.5245	0.004	2	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[4]O)(OC[6a])(H)2	H(CCHO)	H(CCHO)	C(CC[4]O)(OC[6a])(H)2	H(CCHO)	H(CCHO)	108.2290	0.000	1	108.2290	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5,5]O)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[5,5]O)(OC)(H)2	H(CCHO)	H(CCHO)	107.8260	0.063	4	107.8260	0.004	4	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]C)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[5]C)(OH)(H)2	H(CCHO)	H(CCHO)	107.8935	0.175	2	107.8935	0.031	2	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]H)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[5]H)(OC)(H)2	H(CCHO)	H(CCHO)	108.2850	0.170	2	108.2850	0.029	2	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]I)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[5]I)(OC)(H)2	H(CCHO)	H(CCHO)	108.2060	0.000	1	108.2060	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]O)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[5]O)(OC)(H)2	H(CCHO)	H(CCHO)	106.0106	6.586	11	106.0106	43.379	11	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]O)(OC[5])(H)2	H(CCHO)	H(CCHO)	C(CC[5]O)(OC[5])(H)2	H(CCHO)	H(CCHO)	107.1210	0.000	1	107.1210	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]O)(OC[6a])(H)2	H(CCHO)	H(CCHO)	C(CC[5]O)(OC[6a])(H)2	H(CCHO)	H(CCHO)	107.6620	0.000	1	107.6620	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]O)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[5]O)(OH)(H)2	H(CCHO)	H(CCHO)	107.8719	0.272	9	107.8719	0.074	9	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]C)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[5a]C)(OC)(H)2	H(CCHO)	H(CCHO)	107.8900	0.000	1	107.8900	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]C)(OC[6])(H)2	H(CCHO)	H(CCHO)	C(CC[5a]C)(OC[6])(H)2	H(CCHO)	H(CCHO)	107.9660	0.000	1	107.9660	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]C)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[5a]C)(OH)(H)2	H(CCHO)	H(CCHO)	109.5360	0.000	1	109.5360	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]H)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[5a]H)(OC)(H)2	H(CCHO)	H(CCHO)	107.7580	0.000	1	107.7580	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]O)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[5a]O)(OC)(H)2	H(CCHO)	H(CCHO)	108.2387	0.242	4	108.2387	0.059	4	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]O)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[5a]O)(OH)(H)2	H(CCHO)	H(CCHO)	105.6750	0.000	1	105.6750	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6]C)(OC[6a])(H)2	H(CCHO)	H(CCHO)	C(CC[6]C)(OC[6a])(H)2	H(CCHO)	H(CCHO)	108.6210	0.000	1	108.6210	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6]C)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[6]C)(OH)(H)2	H(CCHO)	H(CCHO)	107.6325	0.124	6	107.6325	0.015	6	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6]H)(OC[6])(H)2	H(CCHO)	H(CCHO)	C(CC[6]H)(OC[6])(H)2	H(CCHO)	H(CCHO)	108.1234	0.965	50	108.1234	0.932	50	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6]H)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[6]H)(OH)(H)2	H(CCHO)	H(CCHO)	108.3540	0.069	2	108.3540	0.005	2	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6]N)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[6]N)(OC)(H)2	H(CCHO)	H(CCHO)	108.3960	0.000	1	108.3960	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6]O)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[6]O)(OH)(H)2	H(CCHO)	H(CCHO)	107.4860	0.598	4	107.4860	0.357	4	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]C)(OC)(H)2	H(CCHO)	H(CCHO)	107.9304	0.504	12	107.9304	0.254	12	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(OC[6])(H)2	H(CCHO)	H(CCHO)	C(CC[6a]C)(OC[6])(H)2	H(CCHO)	H(CCHO)	107.9248	0.143	5	107.9248	0.020	5	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(OC[6a])(H)2	H(CCHO)	H(CCHO)	C(CC[6a]C)(OC[6a])(H)2	H(CCHO)	H(CCHO)	107.7625	0.972	4	107.7625	0.946	4	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]C)(OH)(H)2	H(CCHO)	H(CCHO)	107.8030	0.245	6	107.8030	0.060	6	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(OC[6a])(H)2	H(CCHO)	H(CCHO)	C(CC[6a]N)(OC[6a])(H)2	H(CCHO)	H(CCHO)	107.9110	0.000	1	107.9110	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]N)(OH)(H)2	H(CCHO)	H(CCHO)	108.1260	0.000	1	108.1260	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]O)(OC)(H)2	H(CCHO)	H(CCHO)	108.1187	0.236	47	108.1187	0.056	47	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(OC[5a])(H)2	H(CCHO)	H(CCHO)	C(CC[6a]O)(OC[5a])(H)2	H(CCHO)	H(CCHO)	107.8995	0.108	2	107.8995	0.012	2	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(OC[6a])(H)2	H(CCHO)	H(CCHO)	C(CC[6a]O)(OC[6a])(H)2	H(CCHO)	H(CCHO)	108.0913	0.358	9	108.0913	0.129	9	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]O)(OH)(H)2	H(CCHO)	H(CCHO)	108.0680	0.137	3	108.0680	0.019	3	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(ON)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]O)(ON)(H)2	H(CCHO)	H(CCHO)	107.9450	0.000	1	107.9450	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(ON[5])(H)2	H(CCHO)	H(CCHO)	C(CC[6a]O)(ON[5])(H)2	H(CCHO)	H(CCHO)	108.5100	0.000	1	108.5100	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CClC)(OTe)(H)2	H(CCHO)	H(CCHO)	C(CClC)(OTe)(H)2	H(CCHO)	H(CCHO)	108.1640	0.000	1	108.1640	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CClH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CClH)(OC)(H)2	H(CCHO)	H(CCHO)	116.4120	0.000	1	116.4120	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CHH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CHH)(OC)(H)2	H(CCHO)	H(CCHO)	107.9243	3.140	15	107.9243	9.857	15	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CHH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CHH)(OH)(H)2	H(CCHO)	H(CCHO)	104.5710	0.000	1	104.5710	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CHH)(OP)(H)2	H(CCHO)	H(CCHO)	C(CHH)(OP)(H)2	H(CCHO)	H(CCHO)	107.5840	0.000	1	107.5840	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CHN)(OH)(H)2	H(CCHO)	H(CCHO)	C(CHN)(OH)(H)2	H(CCHO)	H(CCHO)	108.8605	1.532	2	108.8605	2.348	2	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CHO)(OC)(H)2	H(CCHO)	H(CCHO)	C(CHO)(OC)(H)2	H(CCHO)	H(CCHO)	108.5686	1.515	13	108.5686	2.295	13	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CNO)(OC)(H)2	H(CCHO)	H(CCHO)	C(CNO)(OC)(H)2	H(CCHO)	H(CCHO)	108.0750	0.501	37	108.0750	0.251	37	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CNO)(OH)(H)2	H(CCHO)	H(CCHO)	C(CNO)(OH)(H)2	H(CCHO)	H(CCHO)	108.5565	0.286	2	108.5565	0.082	2	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CNO)(ON)(H)2	H(CCHO)	H(CCHO)	C(CNO)(ON)(H)2	H(CCHO)	H(CCHO)	107.6583	0.394	4	107.6583	0.155	4	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5]O)(OC[5a])(H)2	H(CCHO)	H(CCHO)	C(CN[5]O)(OC[5a])(H)2	H(CCHO)	H(CCHO)	108.3240	0.000	1	108.3240	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5]O)(OC[6a])(H)2	H(CCHO)	H(CCHO)	C(CN[5]O)(OC[6a])(H)2	H(CCHO)	H(CCHO)	108.0850	0.608	4	108.0850	0.370	4	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5a]C)(OC[6a])(H)2	H(CCHO)	H(CCHO)	C(CN[5a]C)(OC[6a])(H)2	H(CCHO)	H(CCHO)	107.9917	0.302	3	107.9917	0.091	3	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5a]N)(OC)(H)2	H(CCHO)	H(CCHO)	C(CN[5a]N)(OC)(H)2	H(CCHO)	H(CCHO)	108.2030	0.000	1	108.2030	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5a]O)(OC[6a])(H)2	H(CCHO)	H(CCHO)	C(CN[5a]O)(OC[6a])(H)2	H(CCHO)	H(CCHO)	107.9740	0.000	1	107.9740	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CN[6]O)(OC)(H)2	H(CCHO)	H(CCHO)	C(CN[6]O)(OC)(H)2	H(CCHO)	H(CCHO)	108.0430	0.000	1	108.0430	0.000	1	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CN[6]O)(OC[6a])(H)2	H(CCHO)	H(CCHO)	C(CN[6]O)(OC[6a])(H)2	H(CCHO)	H(CCHO)	108.2468	0.252	5	108.2468	0.063	5	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CN[6]O)(OH)(H)2	H(CCHO)	H(CCHO)	C(CN[6]O)(OH)(H)2	H(CCHO)	H(CCHO)	108.0887	0.251	6	108.0887	0.063	6	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(COO)(OC)(H)2	H(CCHO)	H(CCHO)	C(COO)(OC)(H)2	H(CCHO)	H(CCHO)	108.0520	1.250	52	108.0520	1.562	52	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(COO)(OH)(H)2	H(CCHO)	H(CCHO)	C(COO)(OH)(H)2	H(CCHO)	H(CCHO)	108.0901	1.592	16	108.0901	2.535	16	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(COO)(ON)(H)2	H(CCHO)	H(CCHO)	C(COO)(ON)(H)2	H(CCHO)	H(CCHO)	107.9182	0.236	10	107.9182	0.056	10	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(COO)(OP)(H)2	H(CCHO)	H(CCHO)	C(COO)(OP)(H)2	H(CCHO)	H(CCHO)	108.5214	3.281	7	108.5214	10.768	7	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(COO)(OPt)(H)2	H(CCHO)	H(CCHO)	C(COO)(OPt)(H)2	H(CCHO)	H(CCHO)	107.5797	0.042	3	107.5797	0.002	3	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:O-2:H-1:H-1:	C-4:	C-4:	C(CSnC)(OH)(H)2	H(CCHO)	H(CCHO)	C(CSnC)(OH)(H)2	H(CCHO)	H(CCHO)	108.0103	0.457	7	108.0103	0.209	7	108.0791	2.185	616	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CCC)(SC)(H)2	H(CCHS)	H(CCHS)	C(CCC)(SC)(H)2	H(CCHS)	H(CCHS)	107.7743	0.466	6	107.7743	0.217	6	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CCH)(SC)(H)2	H(CCHS)	H(CCHS)	C(CCH)(SC)(H)2	H(CCHS)	H(CCHS)	107.7313	0.417	9	107.7313	0.174	9	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CCH)(SS)(H)2	H(CCHS)	H(CCHS)	C(CCH)(SS)(H)2	H(CCHS)	H(CCHS)	107.8800	1.223	2	107.8800	1.496	2	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CCH)(SW)(H)2	H(CCHS)	H(CCHS)	C(CCH)(SW)(H)2	H(CCHS)	H(CCHS)	108.1410	0.000	1	108.1410	0.000	1	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CCO)(SC)(H)2	H(CCHS)	H(CCHS)	C(CCO)(SC)(H)2	H(CCHS)	H(CCHS)	107.4133	0.053	3	107.4133	0.003	3	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CC[5]O)(SC)(H)2	H(CCHS)	H(CCHS)	C(CC[5]O)(SC)(H)2	H(CCHS)	H(CCHS)	111.7350	3.775	2	111.7350	14.247	2	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CC[5]O)(SC[6a])(H)2	H(CCHS)	H(CCHS)	C(CC[5]O)(SC[6a])(H)2	H(CCHS)	H(CCHS)	107.8202	0.240	9	107.8202	0.058	9	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]O)(SC[5a])(H)2	H(CCHS)	H(CCHS)	C(CC[5a]O)(SC[5a])(H)2	H(CCHS)	H(CCHS)	107.5400	0.000	1	107.5400	0.000	1	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]O)(SC[6a])(H)2	H(CCHS)	H(CCHS)	C(CC[5a]O)(SC[6a])(H)2	H(CCHS)	H(CCHS)	107.7115	0.050	4	107.7115	0.002	4	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CC[6]H)(SAs)(H)2	H(CCHS)	H(CCHS)	C(CC[6]H)(SAs)(H)2	H(CCHS)	H(CCHS)	114.7950	0.000	1	114.7950	0.000	1	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(SC)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]C)(SC)(H)2	H(CCHS)	H(CCHS)	107.7680	0.000	1	107.7680	0.000	1	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(SC)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]N)(SC)(H)2	H(CCHS)	H(CCHS)	107.9887	0.122	3	107.9887	0.015	3	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(SS)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]N)(SS)(H)2	H(CCHS)	H(CCHS)	115.7605	4.096	2	115.7605	16.779	2	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(SC)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]O)(SC)(H)2	H(CCHS)	H(CCHS)	107.9564	0.442	9	107.9564	0.195	9	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(SC[5])(H)2	H(CCHS)	H(CCHS)	C(CC[6a]O)(SC[5])(H)2	H(CCHS)	H(CCHS)	107.5020	0.110	2	107.5020	0.012	2	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(SC[5a])(H)2	H(CCHS)	H(CCHS)	C(CC[6a]O)(SC[5a])(H)2	H(CCHS)	H(CCHS)	108.0988	0.426	13	108.0988	0.181	13	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(SC[6a])(H)2	H(CCHS)	H(CCHS)	C(CC[6a]O)(SC[6a])(H)2	H(CCHS)	H(CCHS)	108.0667	0.502	8	108.0667	0.252	8	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CHH)(SC)(H)2	H(CCHS)	H(CCHS)	C(CHH)(SC)(H)2	H(CCHS)	H(CCHS)	107.9170	0.000	1	107.9170	0.000	1	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CHH)(SZn)(H)2	H(CCHS)	H(CCHS)	C(CHH)(SZn)(H)2	H(CCHS)	H(CCHS)	148.9020	0.000	1	148.9020	0.000	1	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CHN)(SRe)(H)2	H(CCHS)	H(CCHS)	C(CHN)(SRe)(H)2	H(CCHS)	H(CCHS)	101.6000	0.000	1	101.6000	0.000	1	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CHS)(SC)(H)2	H(CCHS)	H(CCHS)	C(CHS)(SC)(H)2	H(CCHS)	H(CCHS)	107.7909	13.298	2	107.7909	176.837	2	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CNN)(SC)(H)2	H(CCHS)	H(CCHS)	C(CNN)(SC)(H)2	H(CCHS)	H(CCHS)	107.0900	0.000	1	107.0900	0.000	1	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CNO)(SC)(H)2	H(CCHS)	H(CCHS)	C(CNO)(SC)(H)2	H(CCHS)	H(CCHS)	108.5611	3.306	14	108.5611	10.927	14	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CNO)(SHg)(H)2	H(CCHS)	H(CCHS)	C(CNO)(SHg)(H)2	H(CCHS)	H(CCHS)	107.4330	0.000	1	107.4330	0.000	1	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CNO)(SNi)(H)2	H(CCHS)	H(CCHS)	C(CNO)(SNi)(H)2	H(CCHS)	H(CCHS)	107.6765	0.052	2	107.6765	0.003	2	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CNO)(SRe)(H)2	H(CCHS)	H(CCHS)	C(CNO)(SRe)(H)2	H(CCHS)	H(CCHS)	107.7767	0.262	3	107.7767	0.069	3	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CN[5]O)(SC[6a])(H)2	H(CCHS)	H(CCHS)	C(CN[5]O)(SC[6a])(H)2	H(CCHS)	H(CCHS)	108.3515	0.187	2	108.3515	0.035	2	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CN[5a]C)(SC)(H)2	H(CCHS)	H(CCHS)	C(CN[5a]C)(SC)(H)2	H(CCHS)	H(CCHS)	107.5050	0.000	1	107.5050	0.000	1	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CN[6]O)(SC)(H)2	H(CCHS)	H(CCHS)	C(CN[6]O)(SC)(H)2	H(CCHS)	H(CCHS)	107.8340	0.000	1	107.8340	0.000	1	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(CN[6]O)(SC[5a])(H)2	H(CCHS)	H(CCHS)	C(CN[6]O)(SC[5a])(H)2	H(CCHS)	H(CCHS)	108.4180	0.000	1	108.4180	0.000	1	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(COO)(SC)(H)2	H(CCHS)	H(CCHS)	C(COO)(SC)(H)2	H(CCHS)	H(CCHS)	108.1577	1.759	48	108.1577	3.095	48	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(COO)(SFe)(H)2	H(CCHS)	H(CCHS)	C(COO)(SFe)(H)2	H(CCHS)	H(CCHS)	109.3990	0.000	1	109.3990	0.000	1	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(COO)(SH)(H)2	H(CCHS)	H(CCHS)	C(COO)(SH)(H)2	H(CCHS)	H(CCHS)	110.4050	0.000	1	110.4050	0.000	1	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(COO)(SNi)(H)2	H(CCHS)	H(CCHS)	C(COO)(SNi)(H)2	H(CCHS)	H(CCHS)	105.2890	0.000	1	105.2890	0.000	1	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:S-2:H-1:H-1:	C-4:	C-4:	C(COO)(SSn)(H)2	H(CCHS)	H(CCHS)	C(COO)(SSn)(H)2	H(CCHS)	H(CCHS)	107.2885	0.088	2	107.2885	0.008	2	108.4241	15.175	160	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:Se-2:H-1:H-1:	C-4:	C-4:	C(CCC)(SeC)(H)2	H(CSeCH)	H(CSeCH)	C(CCC)(SeC)(H)2	H(CSeCH)	H(CSeCH)	96.6675	0.000	1	96.6675	0.000	1	106.7272	16.755	8	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:Se-2:H-1:H-1:	C-4:	C-4:	C(CCC)(SeW)(H)2	H(CSeCH)	H(CSeCH)	C(CCC)(SeW)(H)2	H(CSeCH)	H(CSeCH)	107.3670	0.000	1	107.3670	0.000	1	106.7272	16.755	8	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:Se-2:H-1:H-1:	C-4:	C-4:	C(CC[5]O)(SeC)(H)2	H(CSeCH)	H(CSeCH)	C(CC[5]O)(SeC)(H)2	H(CSeCH)	H(CSeCH)	108.8660	0.000	1	108.8660	0.000	1	106.7272	16.755	8	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:Se-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(SeC)(H)2	H(CSeCH)	H(CSeCH)	C(CC[6a]O)(SeC)(H)2	H(CSeCH)	H(CSeCH)	108.7410	0.000	1	108.7410	0.000	1	106.7272	16.755	8	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:Se-2:H-1:H-1:	C-4:	C-4:	C(CNO)(SeC)(H)2	H(CSeCH)	H(CSeCH)	C(CNO)(SeC)(H)2	H(CSeCH)	H(CSeCH)	108.1980	0.076	2	108.1980	0.006	2	106.7272	16.755	8	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C-3:Se-2:H-1:H-1:	C-4:	C-4:	C(COO)(SeC)(H)2	H(CSeCH)	H(CSeCH)	C(COO)(SeC)(H)2	H(CSeCH)	H(CSeCH)	107.8900	0.091	2	107.8900	0.008	2	106.7272	16.755	8	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[3]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2)(OC)(H)2	H(CC[3]HO)	H(CC[3]HO)	C(C[3]C[3]2)(OC)(H)2	H(CC[3]HO)	H(CC[3]HO)	108.0040	0.000	1	108.0040	0.000	1	108.0040	0.000	1	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[4]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2)(OP)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4]2)(OP)(H)2	H(CC[4]HO)	H(CC[4]HO)	108.0670	0.000	1	108.0670	0.000	1	108.1448	0.003	4	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[4]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2)(OS)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4]2)(OS)(H)2	H(CC[4]HO)	H(CC[4]HO)	108.1707	0.013	3	108.1707	0.000	3	108.1448	0.003	4	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:C-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,3x6]C[5])(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,3x6]C[5])(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6110	0.000	1	107.6110	0.000	1	107.8200	0.044	3	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:C-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2)(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8180	0.000	1	107.8180	0.000	1	107.8200	0.044	3	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:C-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5])(CN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5])(CN)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0310	0.000	1	108.0310	0.000	1	107.8200	0.044	3	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]C[5])(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[3,5]C[5])(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.9400	0.000	1	108.9400	0.000	1	108.3166	1.104	104	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5])(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,5]C[5])(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	109.3955	0.112	2	109.3955	0.013	2	108.3166	1.104	104	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5])(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,6]C[5])(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.0800	0.000	1	108.0800	0.000	1	108.3166	1.104	104	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5])(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,6]C[5])(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.8493	0.121	3	107.8493	0.015	3	108.3166	1.104	104	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	110.3203	3.810	4	110.3203	14.514	4	108.3166	1.104	104	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.8008	1.397	6	108.8008	1.952	6	108.3166	1.104	104	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]N[5])(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.0485	0.438	11	108.0485	0.192	11	108.3166	1.104	104	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(OC[5])(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]N[5])(OC[5])(H)2	H(CC[5]HO)	H(CC[5]HO)	108.0660	0.000	1	108.0660	0.000	1	108.3166	1.104	104	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(OC[5a])(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]N[5])(OC[5a])(H)2	H(CC[5]HO)	H(CC[5]HO)	108.1140	0.000	1	108.1140	0.000	1	108.3166	1.104	104	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(OC[6a])(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]N[5])(OC[6a])(H)2	H(CC[5]HO)	H(CC[5]HO)	108.4882	0.442	8	108.4882	0.195	8	108.3166	1.104	104	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]N[5])(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.0349	0.124	8	108.0349	0.015	8	108.3166	1.104	104	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5])(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]O[5])(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.3260	0.000	1	108.3260	0.000	1	108.3166	1.104	104	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5])(OC[6a])(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]S[5])(OC[6a])(H)2	H(CC[5]HO)	H(CC[5]HO)	108.0935	0.277	13	108.0935	0.077	13	108.3166	1.104	104	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5])(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]S[5])(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.2652	0.324	10	108.2652	0.105	10	108.3166	1.104	104	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6]C[5])(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]N[5,6]C[5])(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	104.6120	0.000	1	104.6120	0.000	1	108.3166	1.104	104	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]N[5]2)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.9617	0.492	3	107.9617	0.242	3	108.3166	1.104	104	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(OC[6a])(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]N[5]2)(OC[6a])(H)2	H(CC[5]HO)	H(CC[5]HO)	108.2059	0.756	13	108.2059	0.572	13	108.3166	1.104	104	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]N[5]2)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.1223	0.376	9	108.1223	0.141	9	108.3166	1.104	104	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(ON)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]N[5]2)(ON)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.8060	0.000	1	108.8060	0.000	1	108.3166	1.104	104	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(OC[6a])(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]N[5]O[5])(OC[6a])(H)2	H(CC[5]HO)	H(CC[5]HO)	108.6700	0.139	2	108.6700	0.019	2	108.3166	1.104	104	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(OP)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]N[5]O[5])(OP)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.1960	0.308	3	108.1960	0.095	3	108.3166	1.104	104	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(OP[6])(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]N[5]O[5])(OP[6])(H)2	H(CC[5]HO)	H(CC[5]HO)	108.2490	0.000	1	108.2490	0.000	1	108.3166	1.104	104	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]Se[5]C[5])(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]Se[5]C[5])(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	111.1290	0.000	1	111.1290	0.000	1	108.3166	1.104	104	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(SC)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]N[5])(SC)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.9745	0.265	2	107.9745	0.070	2	107.7832	0.029	20	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(SC[6])(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]N[5])(SC[6])(H)2	H(CC[5]HS)	H(CC[5]HS)	107.8260	0.000	1	107.8260	0.000	1	107.7832	0.029	20	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(SC[6a])(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]N[5])(SC[6a])(H)2	H(CC[5]HS)	H(CC[5]HS)	107.9270	0.000	1	107.9270	0.000	1	107.7832	0.029	20	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5])(SC)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]S[5])(SC)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.7331	0.165	8	107.7331	0.027	8	107.7832	0.029	20	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(SC)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]N[5]2)(SC)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.7485	0.178	6	107.7485	0.032	6	107.7832	0.029	20	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(SC[5a])(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]N[5]2)(SC[5a])(H)2	H(CC[5]HS)	H(CC[5]HS)	107.8290	0.000	1	107.8290	0.000	1	107.7832	0.029	20	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(SC[6a])(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]N[5]O[5])(SC[6a])(H)2	H(CC[5]HS)	H(CC[5]HS)	107.7770	0.000	1	107.7770	0.000	1	107.7832	0.029	20	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:C-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.8850	0.162	7	107.8850	0.026	7	107.9481	0.147	14	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:C-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(CN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]2)(CN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.4980	0.000	1	107.4980	0.000	1	107.9481	0.147	14	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:C-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.8493	0.040	3	107.8493	0.002	3	107.9481	0.147	14	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:C-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(CN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.8620	0.000	1	107.8620	0.000	1	107.9481	0.147	14	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:C-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(CN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]S[5a])(CN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	108.0070	0.000	1	108.0070	0.000	1	107.9481	0.147	14	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:C-2:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(CC[5])(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a]2)(CC[5])(H)2	H(CC[5a]CH)	H(CC[5a]CH)	109.1630	0.000	1	109.1630	0.000	1	107.9481	0.147	14	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(NC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a,6a]C[5a])(NC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.8700	0.000	1	107.8700	0.000	1	108.1922	5.505	14	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.2750	0.000	1	108.2750	0.000	1	108.1922	5.505	14	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NN)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NN)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.8680	0.000	1	107.8680	0.000	1	108.1922	5.505	14	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(NC[6a])(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NC[6a])(H)2	H(CC[5a]HN)	H(CC[5a]HN)	109.0010	5.845	3	109.0010	34.162	3	108.1922	5.505	14	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(NN)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NN)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.6170	0.099	2	107.6170	0.010	2	108.1922	5.505	14	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(NC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]S[5a])(NC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.0333	0.304	4	108.0333	0.092	4	108.1922	5.505	14	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(NC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]N[5a]2)(NC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.0860	0.000	1	108.0860	0.000	1	108.1922	5.505	14	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]O[5a])(NN)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]N[5a]O[5a])(NN)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.2220	0.000	1	108.2220	0.000	1	108.1922	5.505	14	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6]C[5a])(OC)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a,6]C[5a])(OC)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	108.2100	0.000	1	108.2100	0.000	1	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6]O[5a])(OH)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a,6]O[5a])(OH)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	108.4405	0.251	2	108.4405	0.063	2	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6]S[5a])(OH)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a,6]S[5a])(OH)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	108.0870	0.000	1	108.0870	0.000	1	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]2)(OC)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a,6a]2)(OC)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	107.6620	0.000	1	107.6620	0.000	1	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(OC)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a,6a]C[5a])(OC)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	107.9180	0.262	3	107.9180	0.068	3	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(OH)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a,6a]C[5a])(OH)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	107.8462	0.124	4	107.8462	0.015	4	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(OC)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a]2)(OC)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	108.3827	1.446	23	108.3827	2.092	23	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(OC[6])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a]2)(OC[6])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	107.9260	0.000	1	107.9260	0.000	1	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(OC[6a])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a]2)(OC[6a])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	108.1000	0.000	1	108.1000	0.000	1	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(OH)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a]2)(OH)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	108.0420	0.000	1	108.0420	0.000	1	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(OSi)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a]2)(OSi)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	108.1940	0.000	1	108.1940	0.000	1	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(OB[6])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OB[6])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	107.7357	0.158	4	107.7357	0.025	4	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(OC)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OC)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	108.9269	3.049	34	108.9269	9.294	34	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(OC[5])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OC[5])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	107.8208	0.143	4	107.8208	0.020	4	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(OC[6])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OC[6])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	108.3255	0.176	6	108.3255	0.031	6	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	108.2886	0.505	29	108.2886	0.255	29	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(OH)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OH)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	107.9763	0.909	26	107.9763	0.825	26	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(ON)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(ON)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	107.8920	0.000	1	107.8920	0.000	1	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(OSi)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OSi)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	107.7740	0.000	1	107.7740	0.000	1	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(OC)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a]O[5a])(OC)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	108.4578	0.423	11	108.4578	0.179	11	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(OC[5])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a]O[5a])(OC[5])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	108.2830	0.000	1	108.2830	0.000	1	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	108.4992	0.094	5	108.4992	0.009	5	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(OH)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a]O[5a])(OH)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	107.7479	1.337	14	107.7479	1.788	14	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(ON)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a]O[5a])(ON)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	107.8513	0.104	3	107.8513	0.011	3	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(OC)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a]S[5a])(OC)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	107.8100	0.000	1	107.8100	0.000	1	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(OC[6a])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a]S[5a])(OC[6a])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	108.1086	0.588	12	108.1086	0.346	12	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(OH)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a]S[5a])(OH)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	107.8296	0.172	7	107.8296	0.030	7	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(ON)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a]S[5a])(ON)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	107.8350	0.016	2	107.8350	0.000	2	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,5a]N[5a])(OC[6a])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]N[5a,5a]N[5a])(OC[6a])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	108.4300	0.000	1	108.4300	0.000	1	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6]N[5a])(OC[6a])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]N[5a,6]N[5a])(OC[6a])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	108.0750	0.389	4	108.0750	0.151	4	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6a]C[5a])(OC)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]N[5a,6a]C[5a])(OC)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	108.3010	0.000	1	108.3010	0.000	1	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(OC)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]N[5a]2)(OC)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	107.9545	0.253	6	107.9545	0.064	6	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(OC[5])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]N[5a]2)(OC[5])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	108.1980	0.000	1	108.1980	0.000	1	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(OC[6a])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]N[5a]2)(OC[6a])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	108.4635	0.536	21	108.4635	0.287	21	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(OH)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]N[5a]2)(OH)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	107.1907	2.524	8	107.1907	6.373	8	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(ON)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]N[5a]2)(ON)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	108.3785	0.484	2	108.3785	0.235	2	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(ON[6])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]N[5a]2)(ON[6])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	108.4840	0.000	1	108.4840	0.000	1	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	108.3365	0.318	15	108.3365	0.101	15	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]O[5a])(OH)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]N[5a]O[5a])(OH)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	108.3676	0.473	5	108.3676	0.223	5	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]S[5a])(OC[6a])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]N[5a]S[5a])(OC[6a])(H)2	H(CC[5a]HO)	H(CC[5a]HO)	108.5526	0.162	12	108.5526	0.026	12	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]S[5a])(OH)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]N[5a]S[5a])(OH)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	107.8740	0.000	1	107.8740	0.000	1	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]S[5a])(ON)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]N[5a]S[5a])(ON)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	107.9070	0.214	2	107.9070	0.046	2	108.2509	1.810	280	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(SC)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	C(C[5a]C[5a]2)(SC)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	107.5670	0.000	1	107.5670	0.000	1	107.9068	0.129	27	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(SC[6a])(H)2	H(CC[5a]HS)	H(CC[5a]HS)	C(C[5a]C[5a]2)(SC[6a])(H)2	H(CC[5a]HS)	H(CC[5a]HS)	108.2147	0.386	3	108.2147	0.149	3	107.9068	0.129	27	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(SC)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	C(C[5a]C[5a]N[5a])(SC)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	107.6860	0.000	1	107.6860	0.000	1	107.9068	0.129	27	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(SC[5a])(H)2	H(CC[5a]HS)	H(CC[5a]HS)	C(C[5a]C[5a]N[5a])(SC[5a])(H)2	H(CC[5a]HS)	H(CC[5a]HS)	108.1410	0.000	1	108.1410	0.000	1	107.9068	0.129	27	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(SC[6a])(H)2	H(CC[5a]HS)	H(CC[5a]HS)	C(C[5a]C[5a]N[5a])(SC[6a])(H)2	H(CC[5a]HS)	H(CC[5a]HS)	108.1096	0.236	5	108.1096	0.055	5	107.9068	0.129	27	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(SC)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	C(C[5a]C[5a]O[5a])(SC)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	108.0075	0.593	2	108.0075	0.352	2	107.9068	0.129	27	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(SC[5])(H)2	H(CC[5a]HS)	H(CC[5a]HS)	C(C[5a]C[5a]O[5a])(SC[5])(H)2	H(CC[5a]HS)	H(CC[5a]HS)	107.4990	0.000	1	107.4990	0.000	1	107.9068	0.129	27	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(SC)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	C(C[5a]C[5a]S[5a])(SC)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	107.5300	0.000	1	107.5300	0.000	1	107.9068	0.129	27	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(SC[6])(H)2	H(CC[5a]HS)	H(CC[5a]HS)	C(C[5a]C[5a]S[5a])(SC[6])(H)2	H(CC[5a]HS)	H(CC[5a]HS)	107.6990	0.000	1	107.6990	0.000	1	107.9068	0.129	27	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(SZn)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	C(C[5a]C[5a]S[5a])(SZn)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	108.3590	0.000	1	108.3590	0.000	1	107.9068	0.129	27	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(SC[6a])(H)2	H(CC[5a]HS)	H(CC[5a]HS)	C(C[5a]N[5a]2)(SC[6a])(H)2	H(CC[5a]HS)	H(CC[5a]HS)	108.0400	0.000	1	108.0400	0.000	1	107.9068	0.129	27	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]O[5a])(SC[5a])(H)2	H(CC[5a]HS)	H(CC[5a]HS)	C(C[5a]N[5a]O[5a])(SC[5a])(H)2	H(CC[5a]HS)	H(CC[5a]HS)	107.6500	0.217	7	107.6500	0.047	7	107.9068	0.129	27	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]S[5a])(SC)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	C(C[5a]N[5a]S[5a])(SC)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	108.1025	0.590	2	108.1025	0.349	2	107.9068	0.129	27	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:Se-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(SeC[6a])(H)2	H(CC[5a]SeH)	H(CC[5a]SeH)	C(C[5a]C[5a]N[5a])(SeC[6a])(H)2	H(CC[5a]SeH)	H(CC[5a]SeH)	107.7100	0.000	1	107.7100	0.000	1	107.7662	0.003	4	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:Se-2:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(SeSe)(H)2	H(CC[5a]SeH)	H(CC[5a]SeH)	C(C[5a]C[5a]N[5a])(SeSe)(H)2	H(CC[5a]SeH)	H(CC[5a]SeH)	107.7830	0.071	2	107.7830	0.005	2	107.7662	0.003	4	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[5a]-3:Se-2:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]O[5a])(SeC[5a])(H)2	H(CC[5a]SeH)	H(CC[5a]SeH)	C(C[5a]N[5a]O[5a])(SeC[5a])(H)2	H(CC[5a]SeH)	H(CC[5a]SeH)	107.7890	0.000	1	107.7890	0.000	1	107.7662	0.003	4	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6,6]-3:Se-2:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[4,6,6]C[6,6])(SeC)(H)2	H(CC[6,6]SeH)	H(CC[6,6]SeH)	C(C[6,6]C[4,6,6]C[6,6])(SeC)(H)2	H(CC[6,6]SeH)	H(CC[6,6]SeH)	107.8410	0.000	1	107.8410	0.000	1	107.8410	0.000	1	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:C-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(CC)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(CC)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7850	0.000	1	107.7850	0.000	1	107.7850	0.000	1	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(NC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2)(NC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.3213	1.150	3	108.3213	1.323	3	108.2293	0.446	12	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9490	0.000	1	107.9490	0.000	1	108.2293	0.446	12	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[5])(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[5])(H)2	H(CC[6]HN)	H(CC[6]HN)	108.1570	0.000	1	108.1570	0.000	1	108.2293	0.446	12	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NCr)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCr)(H)2	H(CC[6]HN)	H(CC[6]HN)	109.5750	0.000	1	109.5750	0.000	1	108.2293	0.446	12	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NN)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NN)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9660	0.000	1	107.9660	0.000	1	108.2293	0.446	12	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NP)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NP)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9907	0.152	3	107.9907	0.023	3	108.2293	0.446	12	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NPt)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NPt)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.0845	0.084	2	108.0845	0.007	2	108.2293	0.446	12	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6])(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5,6]C[6])(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.0240	0.000	1	108.0240	0.000	1	108.2951	4.860	269	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6])(OD)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5,6]C[6])(OD)(H)2	H(CC[6]HO)	H(CC[6]HO)	112.8860	0.000	1	112.8860	0.000	1	108.2951	4.860	269	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6])(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5,6]C[6])(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.0025	0.208	4	108.0025	0.043	4	108.2951	4.860	269	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6])(OSi)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5,6]C[6])(OSi)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.7080	0.957	2	108.7080	0.917	2	108.2951	4.860	269	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]O[6])(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5,6]O[6])(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	110.8930	0.000	1	110.8930	0.000	1	108.2951	4.860	269	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]O[6])(OP)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5,6]O[6])(OP)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.7400	0.000	1	108.7400	0.000	1	108.2951	4.860	269	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6])(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6,6]C[6])(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	113.4330	0.000	1	113.4330	0.000	1	108.2951	4.860	269	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6])(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6,6]C[6])(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.4915	0.856	10	108.4915	0.733	10	108.2951	4.860	269	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.5960	3.597	72	108.5960	12.942	72	108.2951	4.860	269	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(OC[6])(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2)(OC[6])(H)2	H(CC[6]HO)	H(CC[6]HO)	108.8127	0.290	8	108.8127	0.084	8	108.2951	4.860	269	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(OC[6a])(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2)(OC[6a])(H)2	H(CC[6]HO)	H(CC[6]HO)	108.9259	1.484	17	108.9259	2.203	17	108.2951	4.860	269	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(OD)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2)(OD)(H)2	H(CC[6]HO)	H(CC[6]HO)	106.4880	0.000	1	106.4880	0.000	1	108.2951	4.860	269	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.8161	0.653	75	107.8161	0.427	75	108.2951	4.860	269	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(OMo)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2)(OMo)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.2340	0.000	1	107.2340	0.000	1	108.2951	4.860	269	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(OSi)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2)(OSi)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.5120	1.481	3	108.5120	2.194	3	108.2951	4.860	269	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.6285	1.954	22	108.6285	3.819	22	108.2951	4.860	269	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OC[6])(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC[6])(H)2	H(CC[6]HO)	H(CC[6]HO)	108.4345	0.292	4	108.4345	0.085	4	108.2951	4.860	269	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OC[6a])(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC[6a])(H)2	H(CC[6]HO)	H(CC[6]HO)	108.3478	0.319	11	108.3478	0.102	11	108.2951	4.860	269	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OCu)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCu)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.0534	0.121	7	108.0534	0.015	7	108.2951	4.860	269	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.0409	0.449	14	108.0409	0.201	14	108.2951	4.860	269	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(ON)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(ON)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.8301	0.093	9	107.8301	0.009	9	108.2951	4.860	269	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OP)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OP)(H)2	H(CC[6]HO)	H(CC[6]HO)	102.5757	7.477	2	102.5757	55.910	2	108.2951	4.860	269	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6])(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]O[6])(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.2580	0.000	1	108.2580	0.000	1	108.2951	4.860	269	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]S[6])(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]S[6])(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.2320	0.000	1	108.2320	0.000	1	108.2951	4.860	269	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(SC)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]2)(SC)(H)2	H(CC[6]HS)	H(CC[6]HS)	106.9430	2.214	3	106.9430	4.900	3	108.1287	2.768	52	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(SC[6a])(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]2)(SC[6a])(H)2	H(CC[6]HS)	H(CC[6]HS)	107.7815	0.351	4	107.7815	0.123	4	108.1287	2.768	52	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SC)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.8131	0.785	20	107.8131	0.617	20	108.1287	2.768	52	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SC[5])(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[5])(H)2	H(CC[6]HS)	H(CC[6]HS)	110.9830	3.665	5	110.9830	13.429	5	108.1287	2.768	52	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SC[5a])(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[5a])(H)2	H(CC[6]HS)	H(CC[6]HS)	108.2363	2.047	3	108.2363	4.189	3	108.1287	2.768	52	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a])(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a])(H)2	H(CC[6]HS)	H(CC[6]HS)	108.4323	1.134	3	108.4323	1.287	3	108.1287	2.768	52	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SNi)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SNi)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.8580	0.115	2	107.8580	0.013	2	108.1287	2.768	52	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SPd)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SPd)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.6722	0.192	4	107.6722	0.037	4	108.1287	2.768	52	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SRe)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SRe)(H)2	H(CC[6]HS)	H(CC[6]HS)	108.2170	0.123	3	108.2170	0.015	3	108.1287	2.768	52	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SW)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SW)(H)2	H(CC[6]HS)	H(CC[6]HS)	108.2810	0.460	2	108.2810	0.211	2	108.1287	2.768	52	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]2)(SC)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]N[6]2)(SC)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.3127	1.317	3	107.3127	1.736	3	108.1287	2.768	52	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:Se-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(SeC)(H)2	H(CC[6]SeH)	H(CC[6]SeH)	C(C[6]C[6]2)(SeC)(H)2	H(CC[6]SeH)	H(CC[6]SeH)	108.0355	0.303	2	108.0355	0.092	2	108.1030	0.045	10	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:Se-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(SeC[6a])(H)2	H(CC[6]SeH)	H(CC[6]SeH)	C(C[6]C[6]2)(SeC[6a])(H)2	H(CC[6]SeH)	H(CC[6]SeH)	108.2500	0.000	1	108.2500	0.000	1	108.1030	0.045	10	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:Se-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SeC)(H)2	H(CC[6]SeH)	H(CC[6]SeH)	C(C[6]C[6]N[6])(SeC)(H)2	H(CC[6]SeH)	H(CC[6]SeH)	108.1388	0.250	5	108.1388	0.063	5	108.1030	0.045	10	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6]-3:Se-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SeC[6a])(H)2	H(CC[6]SeH)	H(CC[6]SeH)	C(C[6]C[6]N[6])(SeC[6a])(H)2	H(CC[6]SeH)	H(CC[6]SeH)	108.0075	0.088	2	108.0075	0.008	2	108.1030	0.045	10	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:C-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6050	0.000	1	107.6050	0.000	1	107.9160	4.225	74	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:C-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9260	0.201	2	107.9260	0.040	2	107.9160	4.225	74	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:C-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.0706	0.497	10	108.0706	0.247	10	107.9160	4.225	74	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:C-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5])(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5])(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4530	0.000	1	107.4530	0.000	1	107.9160	4.225	74	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:C-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6172	0.814	56	107.6172	0.662	56	107.9160	4.225	74	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:C-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(COs)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COs)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	124.1650	0.000	1	124.1650	0.000	1	107.9160	4.225	74	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:C-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CRe)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CRe)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8425	0.313	2	107.8425	0.098	2	107.9160	4.225	74	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:C-2:H-1:H-1:	C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(CN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]N[5a,6a]C[6a])(CN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7590	0.000	1	107.7590	0.000	1	107.9160	4.225	74	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(NC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9350	0.049	3	107.9350	0.002	3	107.9085	0.417	191	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(NN)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NN)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9320	0.000	1	107.9320	0.000	1	107.9085	0.417	191	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8820	0.000	1	107.8820	0.000	1	107.9085	0.417	191	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NN)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NN)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.1450	0.030	2	108.1450	0.001	2	107.9085	0.417	191	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9644	0.573	132	107.9644	0.328	132	107.9085	0.417	191	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[5,6])(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5,6])(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9245	0.062	2	107.9245	0.004	2	107.9085	0.417	191	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[5])(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5])(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.3600	0.819	8	108.3600	0.671	8	107.9085	0.417	191	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[5a])(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5a])(H)2	H(CC[6a]HN)	H(CC[6a]HN)	106.7945	1.049	2	106.7945	1.100	2	107.9085	0.417	191	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6,6])(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6,6])(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9900	0.000	1	107.9900	0.000	1	107.9085	0.417	191	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6])(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6])(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8893	0.169	4	107.8893	0.028	4	107.9085	0.417	191	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a])(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a])(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7793	0.255	10	107.7793	0.065	10	107.9085	0.417	191	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7400	0.000	1	107.7400	0.000	1	107.9085	0.417	191	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NN)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NN)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9210	0.205	4	107.9210	0.042	4	107.9085	0.417	191	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NP)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NP)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.4730	0.000	1	107.4730	0.000	1	107.9085	0.417	191	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NS)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NS)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8080	0.000	1	107.8080	0.000	1	107.9085	0.417	191	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NSb)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSb)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.2240	0.000	1	108.2240	0.000	1	107.9085	0.417	191	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NSi[5])(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSi[5])(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6230	0.000	1	107.6230	0.000	1	107.9085	0.417	191	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NW)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NW)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	103.9590	0.000	1	103.9590	0.000	1	107.9085	0.417	191	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8738	0.517	11	107.8738	0.267	11	107.9085	0.417	191	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NN)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NN)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	105.5650	0.000	1	105.5650	0.000	1	107.9085	0.417	191	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NP)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NP)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9245	0.230	2	107.9245	0.053	2	107.9085	0.417	191	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:	C-4:	C(C[6a]N[6a]2)(NC[5])(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]N[6a]2)(NC[5])(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.1170	0.000	1	107.1170	0.000	1	107.9085	0.417	191	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(OC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[5,6a]C[6a])(OC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.8563	0.494	3	107.8563	0.244	3	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(OH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[5,6a]C[6a])(OH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.3895	0.541	2	107.3895	0.293	2	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(OC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[5a,6a]C[6a])(OC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	106.9850	0.639	3	106.9850	0.408	3	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(OH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[5a,6a]C[6a])(OH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.7230	0.089	2	107.7230	0.008	2	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(OC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6,6a]C[6a])(OC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.0409	0.802	7	108.0409	0.644	7	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(OC[6a])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6,6a]C[6a])(OC[6a])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.2860	0.030	2	108.2860	0.001	2	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(OH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6,6a]C[6a])(OH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.6960	0.136	10	107.6960	0.019	10	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(OB[5])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]2)(OB[5])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.2240	0.000	1	108.2240	0.000	1	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(OC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]2)(OC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.4039	0.115	7	108.4039	0.013	7	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(ON)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]2)(ON)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.8130	0.000	1	107.8130	0.000	1	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.6692	1.388	11	108.6692	1.926	11	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(OC[6a])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(OC[6a])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.3098	0.124	5	108.3098	0.015	5	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.1271	1.020	14	108.1271	1.040	14	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OAl)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OAl)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.8826	0.184	15	107.8826	0.034	15	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OB)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OB)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.2199	0.258	7	108.2199	0.067	7	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OB[3x6])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OB[3x6])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.5680	0.000	1	107.5680	0.000	1	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OB[5])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OB[5])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.0850	0.000	1	108.0850	0.000	1	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OB[5a])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OB[5a])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.8200	0.000	1	107.8200	0.000	1	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.2655	1.582	1428	108.2655	2.503	1428	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OC[3])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[3])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.1735	0.209	2	108.1735	0.044	2	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OC[4,6])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[4,6])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.5220	0.181	2	108.5220	0.033	2	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OC[4])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[4])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.3337	0.715	4	108.3337	0.511	4	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OC[5,5,6])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5,5,6])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.3940	0.000	1	108.3940	0.000	1	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OC[5,5])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5,5])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.2110	0.184	2	108.2110	0.034	2	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OC[5,6])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5,6])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.0883	1.287	19	108.0883	1.655	19	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.5343	2.714	110	108.5343	7.368	110	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OC[5a])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5a])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.3796	0.117	8	108.3796	0.014	8	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OC[6,6])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6,6])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.0027	0.488	13	108.0027	0.239	13	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.2343	1.201	292	108.2343	1.441	292	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.4518	0.709	781	108.4518	0.502	781	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OGa[5,6,6])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OGa[5,6,6])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.9190	0.000	1	107.9190	0.000	1	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OGe)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OGe)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.8920	0.023	2	107.8920	0.001	2	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.9933	0.766	231	107.9933	0.587	231	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OMn)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OMn)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.7083	0.094	3	107.7083	0.009	3	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OMo)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OMo)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.3253	0.489	3	108.3253	0.239	3	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(ON)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.5800	1.754	86	108.5800	3.076	86	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(ON[4])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON[4])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.6380	0.000	1	108.6380	0.000	1	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(ON[5])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON[5])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.5507	0.248	21	108.5507	0.061	21	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(ON[5a])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON[5a])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.6737	0.114	3	108.6737	0.013	3	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(ON[6])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON[6])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	110.0970	3.787	13	110.0970	14.338	13	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(ON[6a])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON[6a])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	112.1717	1.549	3	112.1717	2.399	3	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(ONi)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ONi)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.0290	0.059	2	108.0290	0.004	2	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OO)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OO)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.9198	0.574	5	107.9198	0.329	5	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OP)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OP)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.2406	0.926	32	108.2406	0.858	32	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OP[6,6])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OP[6,6])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.3400	0.000	1	108.3400	0.000	1	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OPd)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OPd)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.1630	0.000	1	108.1630	0.000	1	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(ORe)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ORe)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.7785	0.810	2	108.7785	0.656	2	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OS)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OS)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.6618	0.767	10	108.6618	0.588	10	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OSi)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OSi)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.0550	0.350	17	108.0550	0.122	17	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OSn)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OSn)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.2090	0.000	1	108.2090	0.000	1	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OTi)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OTi)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.9683	0.404	3	107.9683	0.163	3	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OZn)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OZn)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.9300	0.139	2	107.9300	0.019	2	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.5450	3.504	23	107.5450	12.276	23	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC[6])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC[6])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.4855	0.005	2	108.4855	0.000	2	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.3766	0.480	33	108.3766	0.230	33	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(OH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.2125	0.829	17	108.2125	0.687	17	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(ON)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(ON)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.9054	0.126	7	107.9054	0.016	7	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(OP)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OP)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	109.4250	0.000	1	109.4250	0.000	1	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(OS)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OS)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.7180	0.000	1	108.7180	0.000	1	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]O[6a])(OC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]O[6a])(OC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.6130	0.000	1	108.6130	0.000	1	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]O[6a])(OH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]O[6a])(OH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	109.1401	2.794	9	109.1401	7.804	9	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(OC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]N[5a,6a]C[6a])(OC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.7730	0.000	1	108.7730	0.000	1	108.3072	1.949	3293	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6,6a]C[6a])(SH)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6,6,6a]C[6a])(SH)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.4100	0.262	2	107.4100	0.068	2	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(SC[5])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6,6a]C[6a])(SC[5])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.6270	0.000	1	107.6270	0.000	1	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(SC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a,6a]2)(SC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.3260	0.000	1	107.3260	0.000	1	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(SC[6a])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a,6a]2)(SC[6a])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.3255	0.228	2	108.3255	0.052	2	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(SAs)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a,6a]C[6a])(SAs)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.6225	0.049	2	107.6225	0.002	2	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(SC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a,6a]C[6a])(SC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.9988	0.849	23	107.9988	0.721	23	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(SC[5])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a,6a]C[6a])(SC[5])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.5167	0.219	3	107.5167	0.048	3	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(SC[5a])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a,6a]C[6a])(SC[5a])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	109.5995	0.999	2	109.5995	0.998	2	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(SC[6a])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a,6a]C[6a])(SC[6a])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.6700	0.000	1	107.6700	0.000	1	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(SS)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a,6a]C[6a])(SS)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.7023	0.412	7	107.7023	0.170	7	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SAs)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SAs)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.9951	1.689	63	107.9951	2.854	63	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SAu)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SAu)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.8230	0.000	1	107.8230	0.000	1	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.0379	1.201	393	108.0379	1.443	393	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SC[5,6])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5,6])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.2935	0.162	2	108.2935	0.026	2	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SC[5])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.3207	1.053	45	108.3207	1.108	45	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SC[5a])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5a])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.0936	0.726	74	108.0936	0.528	74	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SC[6])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.1276	0.525	37	108.1276	0.276	37	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.2821	1.057	118	108.2821	1.117	118	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SCu)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCu)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.4640	0.445	3	107.4640	0.198	3	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SFe)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SFe)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.7740	0.232	3	107.7740	0.054	3	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SH)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SH)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.7340	0.000	1	107.7340	0.000	1	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SIn[4])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SIn[4])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.6860	0.000	1	107.6860	0.000	1	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SMo)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SMo)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.8800	0.224	7	107.8800	0.050	7	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SNi)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SNi)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.2302	0.131	4	108.2302	0.017	4	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SP)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SP)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.9789	0.374	12	107.9789	0.140	12	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SP[5])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SP[5])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.3360	0.000	1	107.3360	0.000	1	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SPd)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SPd)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	109.5590	0.000	1	109.5590	0.000	1	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SRe)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SRe)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.5953	0.139	7	107.5953	0.019	7	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SS)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SS)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.1268	2.644	26	108.1268	6.988	26	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SSb)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SSb)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.5057	0.101	6	107.5057	0.010	6	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SSn)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SSn)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.3185	0.135	2	108.3185	0.018	2	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(STi)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(STi)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.9796	0.249	5	107.9796	0.062	5	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SW)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SW)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.2660	0.000	1	107.2660	0.000	1	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SZn)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SZn)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.9240	0.000	1	107.9240	0.000	1	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.0583	0.994	25	108.0583	0.988	25	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC[5])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC[5])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.7310	0.395	3	107.7310	0.156	3	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC[5a])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC[5a])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.1550	0.230	9	108.1550	0.053	9	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.9421	0.347	32	107.9421	0.120	32	108.0718	1.320	927	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:Se-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(SeC)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	C(C[6a]C[6a,6a]C[6a])(SeC)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	109.5325	7.298	2	109.5325	53.262	2	107.9398	1.149	83	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:Se-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SeC)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	107.7962	0.350	58	107.7962	0.122	58	107.9398	1.149	83	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:Se-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SeC[5])(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC[5])(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	107.7810	0.000	1	107.7810	0.000	1	107.9398	1.149	83	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:Se-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SeC[5a])(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC[5a])(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	110.4425	3.330	2	110.4425	11.087	2	107.9398	1.149	83	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:Se-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SeC[6a])(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC[6a])(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	108.3294	0.492	5	108.3294	0.242	5	107.9398	1.149	83	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:Se-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SeMo)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeMo)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	107.4520	0.000	1	107.4520	0.000	1	107.9398	1.149	83	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:Se-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SeP)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeP)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	108.2318	0.579	4	108.2318	0.335	4	107.9398	1.149	83	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:Se-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SeSe)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeSe)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	107.7960	0.086	6	107.7960	0.007	6	107.9398	1.149	83	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:Se-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(SeC)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	C(C[6a]C[6a]N[6a])(SeC)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	107.5755	0.204	2	107.5755	0.042	2	107.9398	1.149	83	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	C[6a]-3:Se-2:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(SeC[6a])(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	C(C[6a]C[6a]N[6a])(SeC[6a])(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	107.5730	0.181	2	107.5730	0.033	2	107.9398	1.149	83	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:C-2:H-1:H-1:	C-4:	C-4:	C(NCC)(CC)(H)2	H(CCHN)	H(CCHN)	C(NCC)(CC)(H)2	H(CCHN)	H(CCHN)	107.6455	0.599	22	107.6455	0.358	22	107.5162	8.513	113	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:C-2:H-1:H-1:	C-4:	C-4:	C(NCC)(CN)(H)2	H(CCHN)	H(CCHN)	C(NCC)(CN)(H)2	H(CCHN)	H(CCHN)	107.4665	0.114	4	107.4665	0.013	4	107.5162	8.513	113	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:C-2:H-1:H-1:	C-4:	C-4:	C(NCH)(CC)(H)2	H(CCHN)	H(CCHN)	C(NCH)(CC)(H)2	H(CCHN)	H(CCHN)	108.2473	1.402	19	108.2473	1.965	19	107.5162	8.513	113	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:C-2:H-1:H-1:	C-4:	C-4:	C(NCH)(CN)(H)2	H(CCHN)	H(CCHN)	C(NCH)(CN)(H)2	H(CCHN)	H(CCHN)	107.8500	0.310	2	107.8500	0.096	2	107.5162	8.513	113	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:C-2:H-1:H-1:	C-4:	C-4:	C(NCN)(CN)(H)2	H(CCHN)	H(CCHN)	C(NCN)(CN)(H)2	H(CCHN)	H(CCHN)	107.8490	0.091	2	107.8490	0.008	2	107.5162	8.513	113	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:C-2:H-1:H-1:	C-4:	C-4:	C(NCS)(CC)(H)2	H(CCHN)	H(CCHN)	C(NCS)(CC)(H)2	H(CCHN)	H(CCHN)	107.7328	0.293	23	107.7328	0.086	23	107.5162	8.513	113	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:C-2:H-1:H-1:	C-4:	C-4:	C(NC[5]H)(CC)(H)2	H(CCHN)	H(CCHN)	C(NC[5]H)(CC)(H)2	H(CCHN)	H(CCHN)	108.0380	0.000	1	108.0380	0.000	1	107.5162	8.513	113	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:C-2:H-1:H-1:	C-4:	C-4:	C(NC[5a]C)(CC)(H)2	H(CCHN)	H(CCHN)	C(NC[5a]C)(CC)(H)2	H(CCHN)	H(CCHN)	108.0660	0.000	1	108.0660	0.000	1	107.5162	8.513	113	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:C-2:H-1:H-1:	C-4:	C-4:	C(NC[5a]H)(CC)(H)2	H(CCHN)	H(CCHN)	C(NC[5a]H)(CC)(H)2	H(CCHN)	H(CCHN)	107.6900	0.000	1	107.6900	0.000	1	107.5162	8.513	113	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:C-2:H-1:H-1:	C-4:	C-4:	C(NC[6]H)(CC)(H)2	H(CCHN)	H(CCHN)	C(NC[6]H)(CC)(H)2	H(CCHN)	H(CCHN)	107.7860	0.103	2	107.7860	0.011	2	107.5162	8.513	113	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:C-2:H-1:H-1:	C-4:	C-4:	C(NC[6]S)(CC)(H)2	H(CCHN)	H(CCHN)	C(NC[6]S)(CC)(H)2	H(CCHN)	H(CCHN)	107.4690	0.000	1	107.4690	0.000	1	107.5162	8.513	113	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:C-2:H-1:H-1:	C-4:	C-4:	C(NC[6a]2)(CC)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]2)(CC)(H)2	H(CCHN)	H(CCHN)	107.9330	0.198	4	107.9330	0.039	4	107.5162	8.513	113	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:C-2:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(CC)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]C)(CC)(H)2	H(CCHN)	H(CCHN)	107.7736	0.134	18	107.7736	0.018	18	107.5162	8.513	113	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:C-2:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(CN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]C)(CN)(H)2	H(CCHN)	H(CCHN)	108.2010	0.000	1	108.2010	0.000	1	107.5162	8.513	113	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:C-2:H-1:H-1:	C-4:	C-4:	C(NC[6a]H)(CC)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]H)(CC)(H)2	H(CCHN)	H(CCHN)	107.7078	0.818	4	107.7078	0.670	4	107.5162	8.513	113	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:C-2:H-1:H-1:	C-4:	C-4:	C(NC[6a]H)(CN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]H)(CN)(H)2	H(CCHN)	H(CCHN)	105.1830	0.000	1	105.1830	0.000	1	107.5162	8.513	113	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:C-2:H-1:H-1:	C-4:	C-4:	C(NC[6a]S)(CC)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]S)(CC)(H)2	H(CCHN)	H(CCHN)	107.5150	0.000	1	107.5150	0.000	1	107.5162	8.513	113	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:C-2:H-1:H-1:	C-4:	C-4:	C(NCoH)(CC)(H)2	H(CCHN)	H(CCHN)	C(NCoH)(CC)(H)2	H(CCHN)	H(CCHN)	105.5380	0.000	1	105.5380	0.000	1	107.5162	8.513	113	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:C-2:H-1:H-1:	C-4:	C-4:	C(NCuC)(CC)(H)2	H(CCHN)	H(CCHN)	C(NCuC)(CC)(H)2	H(CCHN)	H(CCHN)	77.8414	0.000	1	77.8414	0.000	1	107.5162	8.513	113	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:C-2:H-1:H-1:	C-4:	C-4:	C(NHS)(CC)(H)2	H(CCHN)	H(CCHN)	C(NHS)(CC)(H)2	H(CCHN)	H(CCHN)	108.0885	0.077	2	108.0885	0.006	2	107.5162	8.513	113	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:C-2:H-1:H-1:	C-4:	C-4:	C(NNS)(CC)(H)2	H(CCHN)	H(CCHN)	C(NNS)(CC)(H)2	H(CCHN)	H(CCHN)	107.7695	0.135	2	107.7695	0.018	2	107.5162	8.513	113	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:O-2:H-1:H-1:	C-4:	C-4:	C(NCC)(OH)(H)2	H(CHNO)	H(CHNO)	C(NCC)(OH)(H)2	H(CHNO)	H(CHNO)	108.5080	0.000	1	108.5080	0.000	1	109.9896	18.806	30	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:O-2:H-1:H-1:	C-4:	C-4:	C(NCH)(OH)(H)2	H(CHNO)	H(CHNO)	C(NCH)(OH)(H)2	H(CHNO)	H(CHNO)	107.8290	0.000	1	107.8290	0.000	1	109.9896	18.806	30	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:O-2:H-1:H-1:	C-4:	C-4:	C(NCS)(OC)(H)2	H(CHNO)	H(CHNO)	C(NCS)(OC)(H)2	H(CHNO)	H(CHNO)	107.6865	0.060	2	107.6865	0.004	2	109.9896	18.806	30	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:O-2:H-1:H-1:	C-4:	C-4:	C(NC[5a]C[6a])(OC)(H)2	H(CHNO)	H(CHNO)	C(NC[5a]C[6a])(OC)(H)2	H(CHNO)	H(CHNO)	108.2140	0.037	2	108.2140	0.001	2	109.9896	18.806	30	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:O-2:H-1:H-1:	C-4:	C-4:	C(NC[5a]C[6a])(OH)(H)2	H(CHNO)	H(CHNO)	C(NC[5a]C[6a])(OH)(H)2	H(CHNO)	H(CHNO)	107.5910	0.103	2	107.5910	0.011	2	109.9896	18.806	30	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:O-2:H-1:H-1:	C-4:	C-4:	C(NC[6a]B[5])(OB[5])(H)2	H(CHNO)	H(CHNO)	C(NC[6a]B[5])(OB[5])(H)2	H(CHNO)	H(CHNO)	107.9385	0.016	2	107.9385	0.000	2	109.9896	18.806	30	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:O-2:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(OC)(H)2	H(CHNO)	H(CHNO)	C(NC[6a]C)(OC)(H)2	H(CHNO)	H(CHNO)	107.7300	0.000	1	107.7300	0.000	1	109.9896	18.806	30	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:O-2:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(OO)(H)2	H(CHNO)	H(CHNO)	C(NC[6a]C)(OO)(H)2	H(CHNO)	H(CHNO)	111.3869	5.183	18	111.3869	26.859	18	109.9896	18.806	30	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:O-2:H-1:H-1:	C-4:	C-4:	C(NC[6a]S)(OC)(H)2	H(CHNO)	H(CHNO)	C(NC[6a]S)(OC)(H)2	H(CHNO)	H(CHNO)	107.7950	0.000	1	107.7950	0.000	1	109.9896	18.806	30	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:S-2:H-1:H-1:	C-4:	C-4:	C(NCC)(SC)(H)2	H(CHNS)	H(CHNS)	C(NCC)(SC)(H)2	H(CHNS)	H(CHNS)	109.2522	4.933	18	109.2522	24.334	18	108.6069	38.654	24	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:S-2:H-1:H-1:	C-4:	C-4:	C(NCC)(SFe)(H)2	H(CHNS)	H(CHNS)	C(NCC)(SFe)(H)2	H(CHNS)	H(CHNS)	107.3995	0.033	2	107.3995	0.001	2	108.6069	38.654	24	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:S-2:H-1:H-1:	C-4:	C-4:	C(NCH)(SC)(H)2	H(CHNS)	H(CHNS)	C(NCH)(SC)(H)2	H(CHNS)	H(CHNS)	107.5550	0.000	1	107.5550	0.000	1	108.6069	38.654	24	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N-3:S-2:H-1:H-1:	C-4:	C-4:	C(NCO)(SC)(H)2	H(CHNS)	H(CHNS)	C(NCO)(SC)(H)2	H(CHNS)	H(CHNS)	105.8906	14.861	3	105.8906	220.859	3	108.6069	38.654	24	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5]-3:C-2:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]C[5])(CC)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CC)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.5703	0.157	4	108.5703	0.025	4	108.0996	0.316	36	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5]-3:C-2:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CC)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7756	0.406	9	107.7756	0.165	9	108.0996	0.316	36	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5]-3:C-2:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CC)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CC)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.1903	0.800	13	108.1903	0.640	13	108.0996	0.316	36	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5]-3:C-2:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CN)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0775	0.086	8	108.0775	0.007	8	108.0996	0.316	36	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5]-3:C-2:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(CC)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CC)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.1145	0.111	2	108.1145	0.012	2	108.0996	0.316	36	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5]C[5])(OH)(H)2	H(CN[5]HO)	H(CN[5]HO)	C(N[5]C[5,5]C[5])(OH)(H)2	H(CN[5]HO)	H(CN[5]HO)	107.8780	0.191	2	107.8780	0.036	2	108.1433	1.255	43	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(OC)(H)2	H(CN[5]HO)	H(CN[5]HO)	C(N[5]C[5,6a]C[5])(OC)(H)2	H(CN[5]HO)	H(CN[5]HO)	108.4361	1.204	15	108.4361	1.449	15	108.1433	1.255	43	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(OC[6a])(H)2	H(CN[5]HO)	H(CN[5]HO)	C(N[5]C[5,6a]C[5])(OC[6a])(H)2	H(CN[5]HO)	H(CN[5]HO)	108.2336	0.281	5	108.2336	0.079	5	108.1433	1.255	43	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]N[5])(OC)(H)2	H(CN[5]HO)	H(CN[5]HO)	C(N[5]C[5,6a]N[5])(OC)(H)2	H(CN[5]HO)	H(CN[5]HO)	108.0400	0.033	2	108.0400	0.001	2	108.1433	1.255	43	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(OC)(H)2	H(CN[5]HO)	H(CN[5]HO)	C(N[5]C[5]2)(OC)(H)2	H(CN[5]HO)	H(CN[5]HO)	108.3047	1.082	8	108.3047	1.172	8	108.1433	1.255	43	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(OC[6])(H)2	H(CN[5]HO)	H(CN[5]HO)	C(N[5]C[5]2)(OC[6])(H)2	H(CN[5]HO)	H(CN[5]HO)	107.2294	2.103	5	107.2294	4.421	5	108.1433	1.255	43	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(OH)(H)2	H(CN[5]HO)	H(CN[5]HO)	C(N[5]C[5]2)(OH)(H)2	H(CN[5]HO)	H(CN[5]HO)	108.0230	0.215	3	108.0230	0.046	3	108.1433	1.255	43	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(OC)(H)2	H(CN[5]HO)	H(CN[5]HO)	C(N[5]C[5]N[5])(OC)(H)2	H(CN[5]HO)	H(CN[5]HO)	107.8750	0.000	1	107.8750	0.000	1	108.1433	1.255	43	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]S[5])(OC)(H)2	H(CN[5]HO)	H(CN[5]HO)	C(N[5]C[5]S[5])(OC)(H)2	H(CN[5]HO)	H(CN[5]HO)	108.0450	0.300	2	108.0450	0.090	2	108.1433	1.255	43	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5]-3:S-2:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(SC[6a])(H)2	H(CN[5]HS)	H(CN[5]HS)	C(N[5]C[5,6a]C[5])(SC[6a])(H)2	H(CN[5]HS)	H(CN[5]HS)	107.3680	0.167	2	107.3680	0.028	2	107.6430	0.041	12	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5]-3:S-2:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(SC[6a])(H)2	H(CN[5]HS)	H(CN[5]HS)	C(N[5]C[5]2)(SC[6a])(H)2	H(CN[5]HS)	H(CN[5]HS)	107.6460	0.000	1	107.6460	0.000	1	107.6430	0.041	12	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5]-3:S-2:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(SP)(H)2	H(CN[5]HS)	H(CN[5]HS)	C(N[5]C[5]2)(SP)(H)2	H(CN[5]HS)	H(CN[5]HS)	107.7330	0.000	1	107.7330	0.000	1	107.6430	0.041	12	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5]-3:S-2:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(SC[6a])(H)2	H(CN[5]HS)	H(CN[5]HS)	C(N[5]C[5]N[5])(SC[6a])(H)2	H(CN[5]HS)	H(CN[5]HS)	107.7635	0.164	6	107.7635	0.027	6	107.6430	0.041	12	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5]-3:S-2:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]S[5])(SC)(H)2	H(CN[5]HS)	H(CN[5]HS)	C(N[5]C[5]S[5])(SC)(H)2	H(CN[5]HS)	H(CN[5]HS)	107.5100	0.042	2	107.5100	0.002	2	107.6430	0.041	12	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5]-3:Se-2:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(SeC[6a])(H)2	H(CN[5]SeH)	H(CN[5]SeH)	C(N[5]C[5]2)(SeC[6a])(H)2	H(CN[5]SeH)	H(CN[5]SeH)	107.9684	0.161	5	107.9684	0.026	5	107.9406	0.022	7	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5]-3:Se-2:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(SeC[6a])(H)2	H(CN[5]SeH)	H(CN[5]SeH)	C(N[5]C[5]N[5])(SeC[6a])(H)2	H(CN[5]SeH)	H(CN[5]SeH)	107.8710	0.110	2	107.8710	0.012	2	107.9406	0.022	7	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:C-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]2)(CC)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CC)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7855	0.247	2	107.7855	0.061	2	108.2245	0.890	47	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:C-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(CC)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a,6])(CC)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	109.8490	0.000	1	109.8490	0.000	1	108.2245	0.890	47	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:C-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.0839	0.623	29	108.0839	0.388	29	108.2245	0.890	47	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:C-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8327	0.034	3	107.8327	0.001	3	108.2245	0.890	47	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:C-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8485	0.054	2	107.8485	0.003	2	108.2245	0.890	47	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:C-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CC)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.2980	1.413	5	108.2980	1.996	5	108.2245	0.890	47	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:C-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8050	0.000	1	107.8050	0.000	1	108.2245	0.890	47	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:C-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.9060	0.000	1	107.9060	0.000	1	108.2245	0.890	47	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:C-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.9670	0.000	1	107.9670	0.000	1	108.2245	0.890	47	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:C-2:H-1:H-1:	C-4:	C-4:	C(N[5a]N[5a]2)(CN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	111.1670	0.000	2	111.1670	0.000	2	108.2245	0.890	47	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,5a]N[5a])(ON)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	C(N[5a]C[5a,5a]N[5a])(ON)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	112.0190	0.000	1	112.0190	0.000	1	108.6466	1.905	48	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(OC)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	C(N[5a]C[5a,6]C[5a])(OC)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	107.9260	0.000	1	107.9260	0.000	1	108.6466	1.905	48	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	109.1890	1.490	5	109.1890	2.220	5	108.6466	1.905	48	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	108.2859	1.086	10	108.2859	1.180	10	108.6466	1.905	48	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	108.0950	0.864	6	108.0950	0.746	6	108.6466	1.905	48	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(ON)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	C(N[5a]C[5a,6a]C[5a])(ON)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	107.9365	0.062	2	107.9365	0.004	2	108.6466	1.905	48	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(OSi)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	C(N[5a]C[5a,6a]C[5a])(OSi)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	108.0615	0.050	2	108.0615	0.003	2	108.6466	1.905	48	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(OC)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	C(N[5a]C[5a,6a]N[5a])(OC)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	111.9040	0.000	1	111.9040	0.000	1	108.6466	1.905	48	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(OH)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	C(N[5a]C[5a,6a]N[5a])(OH)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	107.9610	0.000	1	107.9610	0.000	1	108.6466	1.905	48	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(OC)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	C(N[5a]C[5a]2)(OC)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	108.0843	0.463	3	108.0843	0.214	3	108.6466	1.905	48	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(OC[6])(H)2	H(CN[5a]HO)	H(CN[5a]HO)	C(N[5a]C[5a]2)(OC[6])(H)2	H(CN[5a]HO)	H(CN[5a]HO)	108.0170	0.105	2	108.0170	0.011	2	108.6466	1.905	48	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(OC)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	C(N[5a]C[5a]N[5a])(OC)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	109.4058	2.150	6	109.4058	4.621	6	108.6466	1.905	48	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(OC[6a])(H)2	H(CN[5a]HO)	H(CN[5a]HO)	C(N[5a]C[5a]N[5a])(OC[6a])(H)2	H(CN[5a]HO)	H(CN[5a]HO)	108.5200	0.050	3	108.5200	0.002	3	108.6466	1.905	48	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(OH)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	C(N[5a]C[5a]N[5a])(OH)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	111.2090	0.000	1	111.2090	0.000	1	108.6466	1.905	48	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(ON)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	C(N[5a]C[5a]N[5a])(ON)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	108.3045	0.528	2	108.3045	0.279	2	108.6466	1.905	48	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]S[5a])(OH)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	C(N[5a]C[5a]S[5a])(OH)(H)2	H(CN[5a]HO)	H(CN[5a]HO)	107.8810	0.000	1	107.8810	0.000	1	108.6466	1.905	48	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[5a]N[5a]2)(OC[6a])(H)2	H(CN[5a]HO)	H(CN[5a]HO)	C(N[5a]N[5a]2)(OC[6a])(H)2	H(CN[5a]HO)	H(CN[5a]HO)	107.8760	0.000	1	107.8760	0.000	1	108.6466	1.905	48	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(SC)(H)2	H(CN[5a]HS)	H(CN[5a]HS)	C(N[5a]C[5a,6a]C[5a])(SC)(H)2	H(CN[5a]HS)	H(CN[5a]HS)	111.5490	0.503	2	111.5490	0.253	2	108.6817	3.171	9	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(SC[5a])(H)2	H(CN[5a]HS)	H(CN[5a]HS)	C(N[5a]C[5a,6a]N[5a])(SC[5a])(H)2	H(CN[5a]HS)	H(CN[5a]HS)	109.4650	0.000	1	109.4650	0.000	1	108.6817	3.171	9	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(SC)(H)2	H(CN[5a]HS)	H(CN[5a]HS)	C(N[5a]C[5a]N[5a])(SC)(H)2	H(CN[5a]HS)	H(CN[5a]HS)	107.7820	0.000	1	107.7820	0.000	1	108.6817	3.171	9	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(SC[6a])(H)2	H(CN[5a]HS)	H(CN[5a]HS)	C(N[5a]C[5a]N[5a])(SC[6a])(H)2	H(CN[5a]HS)	H(CN[5a]HS)	107.2905	0.800	2	107.2905	0.640	2	108.6817	3.171	9	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(SP)(H)2	H(CN[5a]HS)	H(CN[5a]HS)	C(N[5a]C[5a]N[5a])(SP)(H)2	H(CN[5a]HS)	H(CN[5a]HS)	107.7600	0.239	2	107.7600	0.057	2	108.6817	3.171	9	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[5a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(N[5a]N[5a]2)(SC)(H)2	H(CN[5a]HS)	H(CN[5a]HS)	C(N[5a]N[5a]2)(SC)(H)2	H(CN[5a]HS)	H(CN[5a]HS)	107.6890	0.000	1	107.6890	0.000	1	108.6817	3.171	9	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[6,6]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(OC)(H)2	H(CN[6,6]HO)	H(CN[6,6]HO)	C(N[6,6]C[3x6]C[6,6])(OC)(H)2	H(CN[6,6]HO)	H(CN[6,6]HO)	109.6220	0.000	1	109.6220	0.000	1	109.6220	0.000	1	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[6]-3:C-2:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]2)(CC)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CC)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.6188	0.188	4	107.6188	0.035	4	107.4848	3.470	32	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[6]-3:C-2:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(CC)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CC)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.8874	0.297	7	107.8874	0.088	7	107.4848	3.470	32	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[6]-3:C-2:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CC)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CC)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.1089	2.708	15	107.1089	7.332	15	107.4848	3.470	32	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[6]-3:C-2:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CN)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CN)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.8657	0.139	6	107.8657	0.019	6	107.4848	3.470	32	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[6]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(OC)(H)2	H(CN[6]HO)	H(CN[6]HO)	C(N[6]C[6,6a]C[6])(OC)(H)2	H(CN[6]HO)	H(CN[6]HO)	108.3430	0.033	2	108.3430	0.001	2	108.2227	0.044	3	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[6]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(OC)(H)2	H(CN[6]HO)	H(CN[6]HO)	C(N[6]C[6]2)(OC)(H)2	H(CN[6]HO)	H(CN[6]HO)	107.9820	0.000	1	107.9820	0.000	1	108.2227	0.044	3	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[6]-3:Se-2:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(SeC[6a])(H)2	H(CN[6]SeH)	H(CN[6]SeH)	C(N[6]C[6]2)(SeC[6a])(H)2	H(CN[6]SeH)	H(CN[6]SeH)	107.9830	0.000	1	107.9830	0.000	1	107.9830	0.000	1	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[6a]-3:C-2:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]2)(CC)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CC)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	108.2807	1.011	3	108.2807	1.023	3	107.9762	0.232	12	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[6a]-3:C-2:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.8847	0.147	7	107.8847	0.022	7	107.9762	0.232	12	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[6a]-3:C-2:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(CC)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CC)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.8395	0.013	2	107.8395	0.000	2	107.9762	0.232	12	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(OC)(H)2	H(CN[6a]HO)	H(CN[6a]HO)	C(N[6a]C[5a,6a]C[6a])(OC)(H)2	H(CN[6a]HO)	H(CN[6a]HO)	107.9270	0.000	1	107.9270	0.000	1	108.1655	0.686	17	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	H(CN[6a]HO)	H(CN[6a]HO)	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	H(CN[6a]HO)	H(CN[6a]HO)	108.0302	0.315	4	108.0302	0.099	4	108.1655	0.686	17	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(OC)(H)2	H(CN[6a]HO)	H(CN[6a]HO)	C(N[6a]C[6a]2)(OC)(H)2	H(CN[6a]HO)	H(CN[6a]HO)	108.5055	1.363	6	108.5055	1.858	6	108.1655	0.686	17	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(OC[5,6])(H)2	H(CN[6a]HO)	H(CN[6a]HO)	C(N[6a]C[6a]2)(OC[5,6])(H)2	H(CN[6a]HO)	H(CN[6a]HO)	108.4540	0.000	1	108.4540	0.000	1	108.1655	0.686	17	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(OSi)(H)2	H(CN[6a]HO)	H(CN[6a]HO)	C(N[6a]C[6a]2)(OSi)(H)2	H(CN[6a]HO)	H(CN[6a]HO)	107.8590	0.047	2	107.8590	0.002	2	108.1655	0.686	17	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[6a]-3:O-2:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]N[6a])(OC)(H)2	H(CN[6a]HO)	H(CN[6a]HO)	C(N[6a]C[6a]N[6a])(OC)(H)2	H(CN[6a]HO)	H(CN[6a]HO)	107.8533	0.055	3	107.8533	0.003	3	108.1655	0.686	17	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	N[6a]-3:S-2:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(SC)(H)2	H(CN[6a]HS)	H(CN[6a]HS)	C(N[6a]C[6a]2)(SC)(H)2	H(CN[6a]HS)	H(CN[6a]HS)	107.7263	0.066	3	107.7263	0.004	3	107.7263	0.004	3	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	O[5]-3:C-2:H-1:H-1:	C-4:	C-4:	C(O[5]B[5]C[5])(CC)(H)2	H(CO[5]CH)	H(CO[5]CH)	C(O[5]B[5]C[5])(CC)(H)2	H(CO[5]CH)	H(CO[5]CH)	108.1280	0.000	1	108.1280	0.000	1	108.1280	0.000	1	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	P-3:N-2:H-1:H-1:	C-4:	C-4:	C(PCC)(NC)(H)2	H(CHNP)	H(CHNP)	C(PCC)(NC)(H)2	H(CHNP)	H(CHNP)	108.1750	0.343	3	108.1750	0.118	3	108.1750	0.118	3	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	P-3:O-2:H-1:H-1:	C-4:	C-4:	C(PCC)(OH)(H)2	H(CHOP)	H(CHOP)	C(PCC)(OH)(H)2	H(CHOP)	H(CHOP)	106.4625	1.802	2	106.4625	3.249	2	106.7878	1.241	4	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	P-3:O-2:H-1:H-1:	C-4:	C-4:	C(PC[6a]2)(OC[6a])(H)2	H(CHOP)	H(CHOP)	C(PC[6a]2)(OC[6a])(H)2	H(CHOP)	H(CHOP)	107.1130	0.223	2	107.1130	0.050	2	106.7878	1.241	4	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	S-3:C-2:H-1:H-1:	C-4:	C-4:	C(SCC)(CC)(H)2	H(CCHS)	H(CCHS)	C(SCC)(CC)(H)2	H(CCHS)	H(CCHS)	107.5255	0.288	2	107.5255	0.083	2	107.7368	0.068	5	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	S-3:C-2:H-1:H-1:	C-4:	C-4:	C(SC[6a]O)(CC)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]O)(CC)(H)2	H(CCHS)	H(CCHS)	107.7160	0.000	1	107.7160	0.000	1	107.7368	0.068	5	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	S-3:C-2:H-1:H-1:	C-4:	C-4:	C(SC[6a]O)(CN)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]O)(CN)(H)2	H(CCHS)	H(CCHS)	107.9270	0.000	1	107.9270	0.000	1	107.7368	0.068	5	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	S-3:C-2:H-1:H-1:	C-4:	C-4:	C(SFe2)(CC)(H)2	H(CCHS)	H(CCHS)	C(SFe2)(CC)(H)2	H(CCHS)	H(CCHS)	107.9900	0.000	1	107.9900	0.000	1	107.7368	0.068	5	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	S-3:O-2:H-1:H-1:	C-4:	C-4:	C(SFe2)(OC)(H)2	H(CHOS)	H(CHOS)	C(SFe2)(OC)(H)2	H(CHOS)	H(CHOS)	107.5440	0.087	4	107.5440	0.008	4	107.5598	0.007	5	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	S-3:O-2:H-1:H-1:	C-4:	C-4:	C(SPdC)(ON)(H)2	H(CHOS)	H(CHOS)	C(SPdC)(ON)(H)2	H(CHOS)	H(CHOS)	107.6230	0.000	1	107.6230	0.000	1	107.5598	0.007	5	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	S-3:S-2:H-1:H-1:	C-4:	C-4:	C(SCC)(SC)(H)2	H(CHSS)	H(CHSS)	C(SCC)(SC)(H)2	H(CHSS)	H(CHSS)	108.0975	0.087	2	108.0975	0.008	2	107.5188	0.143	11	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	S-3:S-2:H-1:H-1:	C-4:	C-4:	C(SC[6a]Cu)(SC[6a])(H)2	H(CHSS)	H(CHSS)	C(SC[6a]Cu)(SC[6a])(H)2	H(CHSS)	H(CHSS)	107.5060	0.163	3	107.5060	0.026	3	107.5188	0.143	11	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	S-3:S-2:H-1:H-1:	C-4:	C-4:	C(SC[6a]Pd)(SC[6a])(H)2	H(CHSS)	H(CHSS)	C(SC[6a]Pd)(SC[6a])(H)2	H(CHSS)	H(CHSS)	107.7015	0.070	2	107.7015	0.005	2	107.5188	0.143	11	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	S-3:S-2:H-1:H-1:	C-4:	C-4:	C(SFe2)(SC)(H)2	H(CHSS)	H(CHSS)	C(SFe2)(SC)(H)2	H(CHSS)	H(CHSS)	107.1478	0.160	4	107.1478	0.026	4	107.5188	0.143	11	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	Se-3:O-2:H-1:H-1:	C-4:	C-4:	C(SeFe2)(OC)(H)2	H(CSeHO)	H(CSeHO)	C(SeFe2)(OC)(H)2	H(CSeHO)	H(CSeHO)	107.5330	0.085	8	107.5330	0.007	8	107.5330	0.007	8	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	Se-3:S-2:H-1:H-1:	C-4:	C-4:	C(SeFe2)(SC)(H)2	H(CSeHS)	H(CSeHS)	C(SeFe2)(SC)(H)2	H(CSeHS)	H(CSeHS)	107.3007	0.193	4	107.3007	0.037	4	107.3007	0.037	4	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:2:1:1:	4:	4:	Se-3:Se-2:H-1:H-1:	C-4:	C-4:	C(SeFe2)(SeC)(H)2	H(CSe2H)	H(CSe2H)	C(SeFe2)(SeC)(H)2	H(CSe2H)	H(CSe2H)	107.2580	0.078	2	107.2580	0.006	2	107.2580	0.006	2	108.2021	2.668	6754	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	As-3:As-3:H-1:H-1:	C-4:	C-4:	C(AsCI)(AsII)(H)2	H(CAs2H)	H(CAs2H)	C(AsCI)(AsII)(H)2	H(CAs2H)	H(CAs2H)	109.4230	0.016	2	109.4230	0.000	2	108.9262	1.083	4	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	As-3:As-3:H-1:H-1:	C-4:	C-4:	C(AsCI)2(H)2	H(CAs2H)	H(CAs2H)	C(AsCI)2(H)2	H(CAs2H)	H(CAs2H)	109.4930	0.000	1	109.4930	0.000	1	108.9262	1.083	4	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	As-3:As-3:H-1:H-1:	C-4:	C-4:	C(AsSS)2(H)2	H(CAs2H)	H(CAs2H)	C(AsSS)2(H)2	H(CAs2H)	H(CAs2H)	107.3660	0.000	1	107.3660	0.000	1	108.9262	1.083	4	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	B[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(B[5a]N[5a]2)(CCC)(H)2	H(CB[5a]CH)	H(CB[5a]CH)	C(B[5a]N[5a]2)(CCC)(H)2	H(CB[5a]CH)	H(CB[5a]CH)	108.3750	0.000	1	108.3750	0.000	1	108.3750	0.000	1	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	B[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(B[5a]N[5a]2)(C[6a]C[6a]2)(H)2	H(CB[5a]C[6a]H)	H(CB[5a]C[6a]H)	C(B[5a]N[5a]2)(C[6a]C[6a]2)(H)2	H(CB[5a]C[6a]H)	H(CB[5a]C[6a]H)	107.2470	0.000	2	107.2470	0.000	2	107.2470	0.000	2	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	B[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(B[6]O[6]2)(CCC)(H)2	H(CB[6]CH)	H(CB[6]CH)	C(B[6]O[6]2)(CCC)(H)2	H(CB[6]CH)	H(CB[6]CH)	107.9520	0.000	1	107.9520	0.000	1	107.9520	0.000	1	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	B[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(B[6a]N[6a]2)(CB[5]C)(H)2	H(CB[6a]CH)	H(CB[6a]CH)	C(B[6a]N[6a]2)(CB[5]C)(H)2	H(CB[6a]CH)	H(CB[6a]CH)	107.9520	0.000	1	107.9520	0.000	1	107.9520	0.000	1	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CCC)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CCC)(CCH)(H)2	H(CCCH)	H(CCCH)	107.4034	1.074	7	107.4034	1.152	7	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CCC)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CCC)(CCO)(H)2	H(CCCH)	H(CCCH)	107.9580	0.000	1	107.9580	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CCC)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CCC)(CNO)(H)2	H(CCCH)	H(CCCH)	107.8788	0.123	9	107.8788	0.015	9	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CCC)(COO)(H)2	H(CCCH)	H(CCCH)	C(CCC)(COO)(H)2	H(CCCH)	H(CCCH)	107.8063	0.568	16	107.8063	0.322	16	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CCC)2(H)2	H(CCCH)	H(CCCH)	C(CCC)2(H)2	H(CCCH)	H(CCCH)	108.2612	2.618	5	108.2612	6.855	5	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CCH)(CCN)(H)2	H(CCCH)	H(CCCH)	C(CCH)(CCN)(H)2	H(CCCH)	H(CCCH)	107.8450	0.000	1	107.8450	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CCH)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CCH)(CCO)(H)2	H(CCCH)	H(CCCH)	108.3269	1.872	11	108.3269	3.504	11	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CCH)(CHH)(H)2	H(CCCH)	H(CCCH)	C(CCH)(CHH)(H)2	H(CCCH)	H(CCCH)	118.0020	0.000	1	118.0020	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CCH)(CHN)(H)2	H(CCCH)	H(CCCH)	C(CCH)(CHN)(H)2	H(CCCH)	H(CCCH)	123.2080	0.000	1	123.2080	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CCH)(CNN)(H)2	H(CCCH)	H(CCCH)	C(CCH)(CNN)(H)2	H(CCCH)	H(CCCH)	108.5850	0.205	2	108.5850	0.042	2	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CCH)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CCH)(CNO)(H)2	H(CCCH)	H(CCCH)	107.7225	0.802	11	107.7225	0.643	11	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CCH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CCH)(COO)(H)2	H(CCCH)	H(CCCH)	107.0975	3.543	19	107.0975	12.553	19	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CCH)2(H)2	H(CCCH)	H(CCCH)	C(CCH)2(H)2	H(CCCH)	H(CCCH)	107.3339	0.608	9	107.3339	0.369	9	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CCN)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CCN)(CCO)(H)2	H(CCCH)	H(CCCH)	106.3190	0.000	1	106.3190	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CCN)(CNN)(H)2	H(CCCH)	H(CCCH)	C(CCN)(CNN)(H)2	H(CCCH)	H(CCCH)	108.3710	0.000	1	108.3710	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CCN)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CCN)(CNO)(H)2	H(CCCH)	H(CCCH)	109.3866	2.073	12	109.3866	4.299	12	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CCN)(CNS)(H)2	H(CCCH)	H(CCCH)	C(CCN)(CNS)(H)2	H(CCCH)	H(CCCH)	108.0680	0.000	1	108.0680	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CCN)(COO)(H)2	H(CCCH)	H(CCCH)	C(CCN)(COO)(H)2	H(CCCH)	H(CCCH)	107.5343	0.492	15	107.5343	0.242	15	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CCN)2(H)2	H(CCCH)	H(CCCH)	C(CCN)2(H)2	H(CCCH)	H(CCCH)	106.4427	2.523	15	106.4427	6.367	15	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CCO)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CCO)(CNO)(H)2	H(CCCH)	H(CCCH)	106.4951	3.227	12	106.4951	10.412	12	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CCO)(COO)(H)2	H(CCCH)	H(CCCH)	C(CCO)(COO)(H)2	H(CCCH)	H(CCCH)	108.1797	0.622	6	108.1797	0.387	6	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CCO)2(H)2	H(CCCH)	H(CCCH)	C(CCO)2(H)2	H(CCCH)	H(CCCH)	106.9477	0.332	9	106.9477	0.110	9	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CCP)(COO)(H)2	H(CCCH)	H(CCCH)	C(CCP)(COO)(H)2	H(CCCH)	H(CCCH)	107.4270	0.000	1	107.4270	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CCS)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CCS)(CNO)(H)2	H(CCCH)	H(CCCH)	107.5718	0.034	4	107.5718	0.001	4	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CCS)(COO)(H)2	H(CCCH)	H(CCCH)	C(CCS)(COO)(H)2	H(CCCH)	H(CCCH)	107.8080	0.000	1	107.8080	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[3]O)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[3]O)(CCC)(H)2	H(CCCH)	H(CCCH)	107.3780	0.000	1	107.3780	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]C)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[5]C)(CCC)(H)2	H(CCCH)	H(CCCH)	109.9340	3.683	2	109.9340	13.562	2	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]C)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]C)(CCH)(H)2	H(CCCH)	H(CCCH)	112.8310	0.000	1	112.8310	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]C)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]C)(CCO)(H)2	H(CCCH)	H(CCCH)	107.3720	0.000	1	107.3720	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]C)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]C)(COO)(H)2	H(CCCH)	H(CCCH)	107.7395	0.128	2	107.7395	0.016	2	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]C[6])(CCS)(H)2	H(CCCH)	H(CCCH)	C(CC[5]C[6])(CCS)(H)2	H(CCCH)	H(CCCH)	107.5530	0.000	1	107.5530	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]H)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[5]H)(CCC)(H)2	H(CCCH)	H(CCCH)	106.0524	1.315	5	106.0524	1.730	5	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]O)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]O)(CCH)(H)2	H(CCCH)	H(CCCH)	107.9240	0.000	1	107.9240	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]2)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]2)(COO)(H)2	H(CCCH)	H(CCCH)	107.9120	0.000	1	107.9120	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]C)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C)(CCC)(H)2	H(CCCH)	H(CCCH)	108.3640	0.000	1	108.3640	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]C)(CC[5a]N)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C)(CC[5a]N)(H)2	H(CCCH)	H(CCCH)	108.8870	0.000	1	108.8870	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[5])(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C[5])(CCH)(H)2	H(CCCH)	H(CCCH)	107.6280	0.000	1	107.6280	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[5])(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C[5])(COO)(H)2	H(CCCH)	H(CCCH)	107.6350	0.000	1	107.6350	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]N)(CCN)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]N)(CCN)(H)2	H(CCCH)	H(CCCH)	107.6465	0.095	2	107.6465	0.009	2	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]O)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]O)(COO)(H)2	H(CCCH)	H(CCCH)	108.0860	0.000	1	108.0860	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]O)2(H)2	H(CCCH)	H(CCCH)	C(CC[5a]O)2(H)2	H(CCCH)	H(CCCH)	109.5185	0.043	2	109.5185	0.002	2	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]H)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]H)(CCH)(H)2	H(CCCH)	H(CCCH)	107.8160	0.000	1	107.8160	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]N)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[6]N)(CNO)(H)2	H(CCCH)	H(CCCH)	108.4090	0.000	1	108.4090	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]O)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[6]O)(CCC)(H)2	H(CCCH)	H(CCCH)	108.1495	0.456	2	108.1495	0.208	2	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C)(CCC)(H)2	H(CCCH)	H(CCCH)	107.5790	0.000	1	107.5790	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C)(CCH)(H)2	H(CCCH)	H(CCCH)	108.3506	1.062	10	108.3506	1.127	10	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(CCN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C)(CCN)(H)2	H(CCCH)	H(CCCH)	108.1390	0.000	1	108.1390	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(CC[6]C)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C)(CC[6]C)(H)2	H(CCCH)	H(CCCH)	107.1490	0.000	1	107.1490	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(CC[6]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C)(CC[6]O)(H)2	H(CCCH)	H(CCCH)	108.3560	0.000	1	108.3560	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(CC[6a]N)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C)(CC[6a]N)(H)2	H(CCCH)	H(CCCH)	108.7607	0.412	3	108.7607	0.170	3	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	106.9367	1.623	3	106.9367	2.635	3	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C)(COO)(H)2	H(CCCH)	H(CCCH)	107.6735	0.134	2	107.6735	0.018	2	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)2(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C)2(H)2	H(CCCH)	H(CCCH)	109.3700	0.000	1	109.3700	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5])(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[5])(CCH)(H)2	H(CCCH)	H(CCCH)	107.5712	1.637	4	107.5712	2.681	4	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5])(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[5])(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	108.0530	0.000	1	108.0530	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5])(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[5])(COO)(H)2	H(CCCH)	H(CCCH)	107.1330	0.000	1	107.1330	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]N)(CCC)(H)2	H(CCCH)	H(CCCH)	107.6850	0.000	1	107.6850	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]N)(CCH)(H)2	H(CCCH)	H(CCCH)	107.5260	0.082	2	107.5260	0.007	2	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(CCN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]N)(CCN)(H)2	H(CCCH)	H(CCCH)	109.2680	1.533	5	109.2680	2.349	5	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]N)(CNO)(H)2	H(CCCH)	H(CCCH)	108.8039	1.199	10	108.8039	1.438	10	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(CNS)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]N)(CNS)(H)2	H(CCCH)	H(CCCH)	108.9074	0.609	5	108.9074	0.371	5	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)2(H)2	H(CCCH)	H(CCCH)	C(CC[6a]N)2(H)2	H(CCCH)	H(CCCH)	108.8650	0.081	5	108.8650	0.007	5	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]O)(CCC)(H)2	H(CCCH)	H(CCCH)	107.5853	0.062	3	107.5853	0.004	3	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]O)(CCH)(H)2	H(CCCH)	H(CCCH)	107.7335	0.012	2	107.7335	0.000	2	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(CCN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]O)(CCN)(H)2	H(CCCH)	H(CCCH)	107.4220	0.000	1	107.4220	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(CC[5]C)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]O)(CC[5]C)(H)2	H(CCCH)	H(CCCH)	107.6915	0.103	2	107.6915	0.011	2	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(CN[6]C)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]O)(CN[6]C)(H)2	H(CCCH)	H(CCCH)	107.4973	1.423	4	107.4973	2.026	4	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]O)(COO)(H)2	H(CCCH)	H(CCCH)	107.6965	0.071	2	107.6965	0.005	2	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)2(H)2	H(CCCH)	H(CCCH)	C(CC[6a]O)2(H)2	H(CCCH)	H(CCCH)	109.0550	1.519	2	109.0550	2.307	2	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CClC)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CClC)(CCH)(H)2	H(CCCH)	H(CCCH)	107.6025	0.141	2	107.6025	0.020	2	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CClC)(COO)(H)2	H(CCCH)	H(CCCH)	C(CClC)(COO)(H)2	H(CCCH)	H(CCCH)	105.8250	0.000	1	105.8250	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CFeO)(CHH)(H)2	H(CCCH)	H(CCCH)	C(CFeO)(CHH)(H)2	H(CCCH)	H(CCCH)	106.0160	0.000	1	106.0160	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CHH)2(H)2	H(CCCH)	H(CCCH)	C(CHH)2(H)2	H(CCCH)	H(CCCH)	108.3858	1.720	5	108.3858	2.959	5	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CHN)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CHN)(CNO)(H)2	H(CCCH)	H(CCCH)	108.1500	0.000	1	108.1500	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CHfN)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CHfN)(CCC)(H)2	H(CCCH)	H(CCCH)	108.1170	0.000	1	108.1170	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CIrO)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CIrO)(CCC)(H)2	H(CCCH)	H(CCCH)	107.5290	0.000	1	107.5290	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CNN)2(H)2	H(CCCH)	H(CCCH)	C(CNN)2(H)2	H(CCCH)	H(CCCH)	108.0705	0.107	2	108.0705	0.011	2	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CNO)(COO)(H)2	H(CCCH)	H(CCCH)	C(CNO)(COO)(H)2	H(CCCH)	H(CCCH)	107.8805	0.056	2	107.8805	0.003	2	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CNO)2(H)2	H(CCCH)	H(CCCH)	C(CNO)2(H)2	H(CCCH)	H(CCCH)	107.7703	1.872	18	107.7703	3.504	18	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CNS)2(H)2	H(CCCH)	H(CCCH)	C(CNS)2(H)2	H(CCCH)	H(CCCH)	108.7650	0.000	1	108.7650	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CN[5a]O)(CSiC)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]O)(CSiC)(H)2	H(CCCH)	H(CCCH)	107.7030	0.000	1	107.7030	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CN[5a]O)2(H)2	H(CCCH)	H(CCCH)	C(CN[5a]O)2(H)2	H(CCCH)	H(CCCH)	108.0547	0.223	3	108.0547	0.050	3	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CN[6]C)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CN[6]C)(CCH)(H)2	H(CCCH)	H(CCCH)	107.9562	0.095	4	107.9562	0.009	4	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CN[6]N)(CN[6]O)(H)2	H(CCCH)	H(CCCH)	C(CN[6]N)(CN[6]O)(H)2	H(CCCH)	H(CCCH)	108.2170	0.000	1	108.2170	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CN[6]O)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CN[6]O)(CCH)(H)2	H(CCCH)	H(CCCH)	107.9940	0.000	1	107.9940	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CN[6]O)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CN[6]O)(CCO)(H)2	H(CCCH)	H(CCCH)	109.9780	0.000	1	109.9780	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CN[6]S)2(H)2	H(CCCH)	H(CCCH)	C(CN[6]S)2(H)2	H(CCCH)	H(CCCH)	107.7520	0.000	1	107.7520	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(COO)2(H)2	H(CCCH)	H(CCCH)	C(COO)2(H)2	H(CCCH)	H(CCCH)	107.5762	1.940	152	107.5762	3.763	152	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CP[5]C)(COO)(H)2	H(CCCH)	H(CCCH)	C(CP[5]C)(COO)(H)2	H(CCCH)	H(CCCH)	107.4730	0.000	1	107.4730	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CPdN)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CPdN)(CCH)(H)2	H(CCCH)	H(CCCH)	107.1430	0.239	2	107.1430	0.057	2	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CPdO)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CPdO)(CCH)(H)2	H(CCCH)	H(CCCH)	107.5660	0.000	1	107.5660	0.000	1	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:C-3:H-1:H-1:	C-4:	C-4:	C(CZrN)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CZrN)(CCC)(H)2	H(CCCH)	H(CCCH)	107.7910	0.076	4	107.7910	0.006	4	107.7875	3.899	479	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CCC)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CCC)(NCC)(H)2	H(CCHN)	H(CCHN)	107.8587	0.252	3	107.8587	0.064	3	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CCC)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CCC)(NCH)(H)2	H(CCHN)	H(CCHN)	108.1320	0.000	1	108.1320	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CCC)(NCN)(H)2	H(CCHN)	H(CCHN)	C(CCC)(NCN)(H)2	H(CCHN)	H(CCHN)	107.8920	0.000	1	107.8920	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CCC)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CCC)(NCS)(H)2	H(CCHN)	H(CCHN)	108.4354	0.617	5	108.4354	0.381	5	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CCC)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CCC)(NHS)(H)2	H(CCHN)	H(CCHN)	108.1555	0.097	2	108.1555	0.009	2	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CCC)(NSS)(H)2	H(CCHN)	H(CCHN)	C(CCC)(NSS)(H)2	H(CCHN)	H(CCHN)	107.8050	0.020	2	107.8050	0.000	2	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CCF)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CCF)(NCH)(H)2	H(CCHN)	H(CCHN)	107.6450	0.000	1	107.6450	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CCH)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CCH)(NCC)(H)2	H(CCHN)	H(CCHN)	108.0114	1.173	58	108.0114	1.376	58	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CCH)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CCH)(NCH)(H)2	H(CCHN)	H(CCHN)	107.9049	0.553	35	107.9049	0.306	35	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CCH)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CCH)(NCS)(H)2	H(CCHN)	H(CCHN)	108.0432	0.803	32	108.0432	0.644	32	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CCH)(NHH)(H)2	H(CCHN)	H(CCHN)	C(CCH)(NHH)(H)2	H(CCHN)	H(CCHN)	104.3820	0.000	1	104.3820	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CCH)(NHP)(H)2	H(CCHN)	H(CCHN)	C(CCH)(NHP)(H)2	H(CCHN)	H(CCHN)	107.7890	0.000	1	107.7890	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CCH)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CCH)(NHS)(H)2	H(CCHN)	H(CCHN)	108.2070	0.000	1	108.2070	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CCH)(NNY)(H)2	H(CCHN)	H(CCHN)	C(CCH)(NNY)(H)2	H(CCHN)	H(CCHN)	108.0650	0.000	1	108.0650	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CCH)(NPP)(H)2	H(CCHN)	H(CCHN)	C(CCH)(NPP)(H)2	H(CCHN)	H(CCHN)	107.4232	0.107	5	107.4232	0.011	5	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CCI)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CCI)(NCH)(H)2	H(CCHN)	H(CCHN)	105.7720	0.000	2	105.7720	0.000	2	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CCN)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CCN)(NCC)(H)2	H(CCHN)	H(CCHN)	107.8087	0.244	3	107.8087	0.060	3	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CCN)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CCN)(NCS)(H)2	H(CCHN)	H(CCHN)	107.5820	0.000	1	107.5820	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CCO)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CCO)(NCC)(H)2	H(CCHN)	H(CCHN)	107.8190	0.267	5	107.8190	0.071	5	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CCO)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CCO)(NCH)(H)2	H(CCHN)	H(CCHN)	107.5860	0.000	1	107.5860	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CCO)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CCO)(NCS)(H)2	H(CCHN)	H(CCHN)	107.7798	0.378	5	107.7798	0.143	5	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CCP)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CCP)(NCC)(H)2	H(CCHN)	H(CCHN)	107.8950	0.000	1	107.8950	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CCS)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CCS)(NCS)(H)2	H(CCHN)	H(CCHN)	107.8020	0.000	1	107.8020	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CC[3]H)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CC[3]H)(NHS)(H)2	H(CCHN)	H(CCHN)	107.7010	0.000	1	107.7010	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CC[4]C)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CC[4]C)(NCS)(H)2	H(CCHN)	H(CCHN)	107.5890	0.000	1	107.5890	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5]H)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CC[5]H)(NCC)(H)2	H(CCHN)	H(CCHN)	107.6400	0.000	1	107.6400	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5]H)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CC[5]H)(NHS)(H)2	H(CCHN)	H(CCHN)	107.8610	0.000	1	107.8610	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5]O)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CC[5]O)(NCH)(H)2	H(CCHN)	H(CCHN)	107.9450	0.000	1	107.9450	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5]O)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CC[5]O)(NCS)(H)2	H(CCHN)	H(CCHN)	107.7920	0.000	1	107.7920	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]H)(NC[6]H)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]H)(NC[6]H)(H)2	H(CCHN)	H(CCHN)	105.9970	0.000	1	105.9970	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]N)(NC[6a]C)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]N)(NC[6a]C)(H)2	H(CCHN)	H(CCHN)	105.4075	1.158	2	105.4075	1.340	2	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]O)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]O)(NCH)(H)2	H(CCHN)	H(CCHN)	108.0820	0.000	1	108.0820	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]O)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]O)(NHS)(H)2	H(CCHN)	H(CCHN)	108.3280	0.000	1	108.3280	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]C)(NCC)(H)2	H(CCHN)	H(CCHN)	107.6375	0.511	2	107.6375	0.261	2	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]C)(NCS)(H)2	H(CCHN)	H(CCHN)	108.2073	0.210	6	108.2073	0.044	6	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(NC[6a]H)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]C)(NC[6a]H)(H)2	H(CCHN)	H(CCHN)	107.9890	0.000	1	107.9890	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]C)(NHS)(H)2	H(CCHN)	H(CCHN)	108.2125	0.015	2	108.2125	0.000	2	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]C)(NOO)(H)2	H(CCHN)	H(CCHN)	108.0310	0.000	1	108.0310	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]N)(NCH)(H)2	H(CCHN)	H(CCHN)	107.8427	0.029	3	107.8427	0.001	3	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]N)(NCS)(H)2	H(CCHN)	H(CCHN)	107.7780	0.000	1	107.7780	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(NC[5a]C)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]N)(NC[5a]C)(H)2	H(CCHN)	H(CCHN)	108.1130	0.119	2	108.1130	0.014	2	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(NN[6]C)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]N)(NN[6]C)(H)2	H(CCHN)	H(CCHN)	107.6730	0.000	1	107.6730	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]O)(NCC)(H)2	H(CCHN)	H(CCHN)	107.6870	0.325	2	107.6870	0.106	2	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]O)(NCH)(H)2	H(CCHN)	H(CCHN)	108.0843	0.044	3	108.0843	0.002	3	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(NC[5a]S)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]O)(NC[5a]S)(H)2	H(CCHN)	H(CCHN)	107.8450	0.000	1	107.8450	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(NC[6a]C)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]O)(NC[6a]C)(H)2	H(CCHN)	H(CCHN)	107.6470	0.204	2	107.6470	0.041	2	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(NC[6a]H)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]O)(NC[6a]H)(H)2	H(CCHN)	H(CCHN)	108.0410	0.045	3	108.0410	0.002	3	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CClC)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CClC)(NCH)(H)2	H(CCHN)	H(CCHN)	107.7393	0.063	3	107.7393	0.004	3	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CHH)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CHH)(NCC)(H)2	H(CCHN)	H(CCHN)	106.5420	3.923	2	106.5420	15.390	2	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CHN)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CHN)(NCC)(H)2	H(CCHN)	H(CCHN)	109.3525	2.645	2	109.3525	6.998	2	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CHN)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CHN)(NCH)(H)2	H(CCHN)	H(CCHN)	111.5490	6.698	3	111.5490	44.857	3	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CHO)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CHO)(NCC)(H)2	H(CCHN)	H(CCHN)	108.0600	0.000	1	108.0600	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CHP)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CHP)(NCH)(H)2	H(CCHN)	H(CCHN)	108.4310	0.000	1	108.4310	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CNO)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CNO)(NCC)(H)2	H(CCHN)	H(CCHN)	107.9517	1.260	139	107.9517	1.588	139	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CNO)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CNO)(NCH)(H)2	H(CCHN)	H(CCHN)	107.9770	1.398	156	107.9770	1.955	156	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CNO)(NCN)(H)2	H(CCHN)	H(CCHN)	C(CNO)(NCN)(H)2	H(CCHN)	H(CCHN)	107.7043	0.123	32	107.7043	0.015	32	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CNO)(NCO)(H)2	H(CCHN)	H(CCHN)	C(CNO)(NCO)(H)2	H(CCHN)	H(CCHN)	109.8063	4.488	4	109.8063	20.142	4	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CNO)(NHH)(H)2	H(CCHN)	H(CCHN)	C(CNO)(NHH)(H)2	H(CCHN)	H(CCHN)	105.1920	3.630	2	105.1920	13.179	2	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CNO)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CNO)(NHS)(H)2	H(CCHN)	H(CCHN)	108.1340	0.326	11	108.1340	0.106	11	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CNS)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CNS)(NCC)(H)2	H(CCHN)	H(CCHN)	107.6675	0.077	6	107.6675	0.006	6	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CNS)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CNS)(NCH)(H)2	H(CCHN)	H(CCHN)	107.3870	0.024	2	107.3870	0.001	2	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5]O)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CN[5]O)(NCH)(H)2	H(CCHN)	H(CCHN)	109.4840	3.375	4	109.4840	11.391	4	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CN[6]O)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CN[6]O)(NCC)(H)2	H(CCHN)	H(CCHN)	107.9729	0.200	7	107.9729	0.040	7	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CN[6]O)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CN[6]O)(NCH)(H)2	H(CCHN)	H(CCHN)	106.4370	1.871	3	106.4370	3.501	3	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CN[6]O)(NCN)(H)2	H(CCHN)	H(CCHN)	C(CN[6]O)(NCN)(H)2	H(CCHN)	H(CCHN)	108.0744	0.094	5	108.0744	0.009	5	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CN[6]O)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CN[6]O)(NCS)(H)2	H(CCHN)	H(CCHN)	107.7830	0.000	1	107.7830	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CNiC)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CNiC)(NCS)(H)2	H(CCHN)	H(CCHN)	107.7950	0.000	1	107.7950	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(COO)(NCC)(H)2	H(CCHN)	H(CCHN)	C(COO)(NCC)(H)2	H(CCHN)	H(CCHN)	107.7362	1.300	69	107.7362	1.691	69	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(COO)(NCH)(H)2	H(CCHN)	H(CCHN)	C(COO)(NCH)(H)2	H(CCHN)	H(CCHN)	107.9595	1.004	175	107.9595	1.009	175	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(COO)(NCN)(H)2	H(CCHN)	H(CCHN)	C(COO)(NCN)(H)2	H(CCHN)	H(CCHN)	117.4840	11.550	2	117.4840	133.400	2	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(COO)(NCO)(H)2	H(CCHN)	H(CCHN)	C(COO)(NCO)(H)2	H(CCHN)	H(CCHN)	108.1435	0.329	2	108.1435	0.108	2	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(COO)(NCS)(H)2	H(CCHN)	H(CCHN)	C(COO)(NCS)(H)2	H(CCHN)	H(CCHN)	107.6090	0.259	2	107.6090	0.067	2	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(COO)(NHH)(H)2	H(CCHN)	H(CCHN)	C(COO)(NHH)(H)2	H(CCHN)	H(CCHN)	108.1470	0.000	1	108.1470	0.000	1	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(COO)(NHS)(H)2	H(CCHN)	H(CCHN)	C(COO)(NHS)(H)2	H(CCHN)	H(CCHN)	107.9145	0.449	16	107.9145	0.201	16	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(COO)(NPP)(H)2	H(CCHN)	H(CCHN)	C(COO)(NPP)(H)2	H(CCHN)	H(CCHN)	107.5157	0.105	3	107.5157	0.011	3	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CPdC)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CPdC)(NCS)(H)2	H(CCHN)	H(CCHN)	107.5775	0.158	14	107.5775	0.025	14	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:N-3:H-1:H-1:	C-4:	C-4:	C(CSiC)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CSiC)(NCS)(H)2	H(CCHN)	H(CCHN)	107.6665	0.100	2	107.6665	0.010	2	107.9448	1.844	880	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:O-3:H-1:H-1:	C-4:	C-4:	C(CC[5]O)(OCaH)(H)2	H(CCHO)	H(CCHO)	C(CC[5]O)(OCaH)(H)2	H(CCHO)	H(CCHO)	109.4140	0.000	1	109.4140	0.000	1	106.4000	18.168	2	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:O-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(OCaH)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]O)(OCaH)(H)2	H(CCHO)	H(CCHO)	103.3860	0.000	1	103.3860	0.000	1	106.4000	18.168	2	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:P-3:H-1:H-1:	C-4:	C-4:	C(CCC)(PCC)(H)2	H(CCHP)	H(CCHP)	C(CCC)(PCC)(H)2	H(CCHP)	H(CCHP)	109.2210	1.817	4	109.2210	3.301	4	109.2210	3.301	4	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:S-3:H-1:H-1:	C-4:	C-4:	C(CCH)(SCO)(H)2	H(CCHS)	H(CCHS)	C(CCH)(SCO)(H)2	H(CCHS)	H(CCHS)	108.1980	0.044	2	108.1980	0.002	2	108.9539	16.908	18	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:S-3:H-1:H-1:	C-4:	C-4:	C(CCO)(SCC)(H)2	H(CCHS)	H(CCHS)	C(CCO)(SCC)(H)2	H(CCHS)	H(CCHS)	108.2717	0.235	3	108.2717	0.055	3	108.9539	16.908	18	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:S-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]H)(SNiC)(H)2	H(CCHS)	H(CCHS)	C(CC[5a]H)(SNiC)(H)2	H(CCHS)	H(CCHS)	108.0840	0.000	1	108.0840	0.000	1	108.9539	16.908	18	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:S-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(SCC)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]O)(SCC)(H)2	H(CCHS)	H(CCHS)	108.0840	0.000	1	108.0840	0.000	1	108.9539	16.908	18	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:S-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(SC[6a]O)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]O)(SC[6a]O)(H)2	H(CCHS)	H(CCHS)	108.5050	0.000	1	108.5050	0.000	1	108.9539	16.908	18	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:S-3:H-1:H-1:	C-4:	C-4:	C(CHS)(SCU)(H)2	H(CCHS)	H(CCHS)	C(CHS)(SCU)(H)2	H(CCHS)	H(CCHS)	119.2700	0.000	1	119.2700	0.000	1	108.9539	16.908	18	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:S-3:H-1:H-1:	C-4:	C-4:	C(CNO)(SCO)(H)2	H(CCHS)	H(CCHS)	C(CNO)(SCO)(H)2	H(CCHS)	H(CCHS)	108.5523	5.385	7	108.5523	28.994	7	108.9539	16.908	18	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:S-3:H-1:H-1:	C-4:	C-4:	C(COO)(SCC)(H)2	H(CCHS)	H(CCHS)	C(COO)(SCC)(H)2	H(CCHS)	H(CCHS)	108.1620	0.000	1	108.1620	0.000	1	108.9539	16.908	18	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C-3:S-3:H-1:H-1:	C-4:	C-4:	C(COO)(SCO)(H)2	H(CCHS)	H(CCHS)	C(COO)(SCO)(H)2	H(CCHS)	H(CCHS)	107.9880	0.000	1	107.9880	0.000	1	108.9539	16.908	18	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[3]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[3]Nb[3,6]N[3])(C[6a]C[6a]2)(H)2	H(CC[6a]C[3]H)	H(CC[6a]C[3]H)	C(C[3]Nb[3,6]N[3])(C[6a]C[6a]2)(H)2	H(CC[6a]C[3]H)	H(CC[6a]C[3]H)	107.8195	0.210	2	107.8195	0.044	2	107.8195	0.044	2	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[3]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[3]Si[3]C[3])(NCS)(H)2	H(CC[3]HN)	H(CC[3]HN)	C(C[3]Si[3]C[3])(NCS)(H)2	H(CC[3]HN)	H(CC[3]HN)	107.8885	0.228	2	107.8885	0.052	2	107.8885	0.052	2	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[4]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2)(NCS)(H)2	H(CC[4]HN)	H(CC[4]HN)	C(C[4]C[4]2)(NCS)(H)2	H(CC[4]HN)	H(CC[4]HN)	108.0980	0.000	1	108.0980	0.000	1	107.8585	0.115	2	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[4]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2)(NC[6a]2)(H)2	H(CC[4]HN)	H(CC[4]HN)	C(C[4]C[4]2)(NC[6a]2)(H)2	H(CC[4]HN)	H(CC[4]HN)	107.6190	0.000	1	107.6190	0.000	1	107.8585	0.115	2	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5,6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(CCC)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6])(CCC)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.6663	0.327	3	107.6663	0.107	3	107.6663	0.107	3	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5,6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]N[5,6])(C[6a]C[6a]2)(H)2	H(CC[5,6]C[6a]H)	H(CC[5,6]C[6a]H)	C(C[5,6]C[5,5,6]N[5,6])(C[6a]C[6a]2)(H)2	H(CC[5,6]C[6a]H)	H(CC[5,6]C[6a]H)	107.4910	0.000	1	107.4910	0.000	1	107.4910	0.000	1	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5,6]C[5])(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5,6]C[5])(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7340	0.222	3	107.7340	0.049	3	107.3553	2.640	61	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5a]C[5])(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5a]C[5])(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4180	0.000	1	107.4180	0.000	1	107.3553	2.640	61	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5])(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5])(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6790	0.000	1	107.6790	0.000	1	107.3553	2.640	61	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5])(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5])(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0650	0.143	2	108.0650	0.020	2	107.3553	2.640	61	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5])(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5])(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6960	0.000	1	107.6960	0.000	1	107.3553	2.640	61	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]N[5])(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]N[5])(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7290	0.000	1	107.7290	0.000	1	107.3553	2.640	61	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5])(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.8995	0.913	2	106.8995	0.833	2	107.3553	2.640	61	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5])(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.6400	0.945	3	108.6400	0.893	3	107.3553	2.640	61	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6790	0.344	6	107.6790	0.118	6	107.3553	2.640	61	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	98.2396	0.000	1	98.2396	0.000	1	107.3553	2.640	61	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5290	0.000	1	107.5290	0.000	1	107.3553	2.640	61	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8110	0.000	1	107.8110	0.000	1	107.3553	2.640	61	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(CNO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2)(CNO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6710	0.000	1	107.6710	0.000	1	107.3553	2.640	61	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5155	0.351	4	107.5155	0.123	4	107.3553	2.640	61	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(CSS)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2)(CSS)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6010	0.129	7	107.6010	0.017	7	107.3553	2.640	61	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2780	0.000	1	107.2780	0.000	1	107.3553	2.640	61	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	99.8391	0.000	1	99.8391	0.000	1	107.3553	2.640	61	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(CNO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CNO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4660	0.000	1	107.4660	0.000	1	107.3553	2.640	61	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5])(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6212	1.048	5	107.6212	1.097	5	107.3553	2.640	61	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]P[5])(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]P[5])(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5330	0.000	1	107.5330	0.000	1	107.3553	2.640	61	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5])(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]S[5])(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6660	0.000	1	107.6660	0.000	1	107.3553	2.640	61	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6]C[5])(CNO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5,6]C[5])(CNO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7260	0.000	1	107.7260	0.000	1	107.3553	2.640	61	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6]C[5])(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5,6]C[5])(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2890	0.000	1	107.2890	0.000	1	107.3553	2.640	61	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]2)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6016	0.216	8	107.6016	0.047	8	107.3553	2.640	61	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(COS)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]2)(COS)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4120	0.212	3	107.4120	0.045	3	107.3553	2.640	61	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(CSS)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]2)(CSS)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2875	0.090	2	107.2875	0.008	2	107.3553	2.640	61	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]O[5])(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9780	0.000	1	107.9780	0.000	1	107.3553	2.640	61	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)2(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5]2)2(H)2	H(CC[5]2H)	H(CC[5]2H)	107.6326	0.583	19	107.6326	0.340	19	107.6653	0.338	46	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	H(CC[5]2H)	H(CC[5]2H)	107.2174	0.396	5	107.2174	0.157	5	107.6653	0.338	46	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])2(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5]N[5])2(H)2	H(CC[5]2H)	H(CC[5]2H)	108.2075	0.479	2	108.2075	0.229	2	107.6653	0.338	46	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)2(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]N[5]2)2(H)2	H(CC[5]2H)	H(CC[5]2H)	107.7516	0.600	19	107.7516	0.360	19	107.6653	0.338	46	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]S[5])2(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]N[5]S[5])2(H)2	H(CC[5]2H)	H(CC[5]2H)	107.8010	0.000	1	107.8010	0.000	1	107.6653	0.338	46	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	107.5300	0.000	1	107.5300	0.000	1	107.5300	0.000	1	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	107.1675	0.114	2	107.1675	0.013	2	106.1257	78.401	5	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(C[6]C[6]2)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[5]N[5]2)(C[6]C[6]2)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	105.4312	12.449	3	105.4312	154.987	3	106.1257	78.401	5	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.8980	0.000	1	107.8980	0.000	1	107.9229	2.359	52	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6,6]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6,6]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.5710	0.000	1	107.5710	0.000	1	107.9229	2.359	52	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.6415	0.122	2	107.6415	0.015	2	107.9229	2.359	52	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.6674	0.117	5	107.6674	0.014	5	107.9229	2.359	52	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]N[6a])(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]N[6a])(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.6030	0.000	1	107.6030	0.000	1	107.9229	2.359	52	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.7780	0.000	1	107.7780	0.000	1	107.9229	2.359	52	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.6696	0.212	22	107.6696	0.045	22	107.9229	2.359	52	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.7910	0.252	2	107.7910	0.063	2	107.9229	2.359	52	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.7143	0.234	7	107.7143	0.055	7	107.9229	2.359	52	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6]N[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]N[5,6]N[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.6870	0.000	1	107.6870	0.000	1	107.9229	2.359	52	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	109.1908	3.845	8	109.1908	14.787	8	107.9229	2.359	52	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]S[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]N[5]S[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.9920	0.000	1	107.9920	0.000	1	107.9229	2.359	52	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5])(NHS)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,6]C[5])(NHS)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.0940	0.000	1	108.0940	0.000	1	108.1663	0.727	97	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5])(NCS)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,6a]C[5])(NCS)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.0090	0.146	2	108.0090	0.021	2	108.1663	0.727	97	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(NCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2)(NCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.1130	0.008	2	108.1130	0.000	2	108.1663	0.727	97	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(NCS)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2)(NCS)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.7875	0.021	2	107.7875	0.000	2	108.1663	0.727	97	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(NC[6a]2)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2)(NC[6a]2)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.4960	0.000	1	107.4960	0.000	1	108.1663	0.727	97	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.0663	0.670	6	108.0663	0.449	6	108.1663	0.727	97	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(NCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.0190	0.000	1	108.0190	0.000	1	108.1663	0.727	97	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(NC[6a]Al)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NC[6a]Al)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.4947	0.071	3	108.4947	0.005	3	108.1663	0.727	97	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(NHS)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NHS)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.6560	0.000	1	107.6560	0.000	1	108.1663	0.727	97	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(NIrC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NIrC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.3490	0.687	2	108.3490	0.472	2	108.1663	0.727	97	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(NNiC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NNiC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.5950	0.000	1	108.5950	0.000	1	108.1663	0.727	97	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5])(NCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]O[5])(NCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	113.4950	0.000	1	113.4950	0.000	1	108.1663	0.727	97	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5])(NC[6]H)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]O[5])(NC[6]H)(H)2	H(CC[5]HN)	H(CC[5]HN)	110.8850	0.000	1	110.8850	0.000	1	108.1663	0.727	97	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5])(NC[6a]H)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]O[5])(NC[6a]H)(H)2	H(CC[5]HN)	H(CC[5]HN)	109.6840	0.000	1	109.6840	0.000	1	108.1663	0.727	97	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5])(NRuC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]S[5])(NRuC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.5710	0.000	1	108.5710	0.000	1	108.1663	0.727	97	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.0852	0.709	42	108.0852	0.503	42	108.1663	0.727	97	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.9442	0.121	10	107.9442	0.015	10	108.1663	0.727	97	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NCN)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NCN)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.7635	0.028	2	107.7635	0.001	2	108.1663	0.727	97	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NCS)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NCS)(H)2	H(CC[5]HN)	H(CC[5]HN)	109.3620	0.000	1	109.3620	0.000	1	108.1663	0.727	97	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NC[6]C)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NC[6]C)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.9100	0.000	1	107.9100	0.000	1	108.1663	0.727	97	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NC[6a]C)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NC[6a]C)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.9690	0.522	12	107.9690	0.272	12	108.1663	0.727	97	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NC[6a]H)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NC[6a]H)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.8920	0.308	2	107.8920	0.095	2	108.1663	0.727	97	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]S[5])(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]S[5])(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.0050	0.000	1	108.0050	0.000	1	108.1663	0.727	97	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(N[5]C[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(C[5]C[5]2)(N[5]C[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	107.7020	0.000	1	107.7020	0.000	1	107.9881	0.047	48	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	107.9864	0.190	37	107.9864	0.036	37	107.9881	0.047	48	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	107.8088	0.190	5	107.8088	0.036	5	107.9881	0.047	48	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(N[5]C[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(C[5]N[5]2)(N[5]C[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	108.2376	0.238	5	108.2376	0.057	5	107.9881	0.047	48	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(N[6]C[6]2)(H)2	H(CC[5]N[6]H)	H(CC[5]N[6]H)	C(C[5]C[5]N[5])(N[6]C[6]2)(H)2	H(CC[5]N[6]H)	H(CC[5]N[6]H)	107.7562	0.227	5	107.7562	0.051	5	107.7562	0.051	5	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(OCu2)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]N[5]2)(OCu2)(H)2	H(CC[5]HO)	H(CC[5]HO)	109.2160	2.832	3	109.2160	8.018	3	108.8699	1.218	15	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(OCuC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]N[5]2)(OCuC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.9013	0.084	6	108.9013	0.007	6	108.8699	1.218	15	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(OMnH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]N[5]2)(OMnH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.3970	0.000	1	108.3970	0.000	1	108.8699	1.218	15	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(ONiH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]N[5]2)(ONiH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.6520	0.421	2	108.6520	0.178	2	108.8699	1.218	15	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(ONiH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]N[5]O[5])(ONiH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.6410	0.041	2	108.6410	0.002	2	108.8699	1.218	15	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]S[5])(OCuC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]N[5]S[5])(OCuC)(H)2	H(CC[5]HO)	H(CC[5]HO)	109.0090	0.000	1	109.0090	0.000	1	108.8699	1.218	15	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:P-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(PCC)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]N[5])(PCC)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.4670	0.313	3	107.4670	0.098	3	108.6784	6.716	7	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:P-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(PC[6a]2)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]N[5]2)(PC[6a]2)(H)2	H(CC[5]HP)	H(CC[5]HP)	114.4780	0.000	1	114.4780	0.000	1	108.6784	6.716	7	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:P-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(PC[6a]C)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PC[6a]C)(H)2	H(CC[5]HP)	H(CC[5]HP)	108.0425	0.675	2	108.0425	0.456	2	108.6784	6.716	7	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:P-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]S[5])(PC[6a]2)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]N[5]S[5])(PC[6a]2)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.7850	0.000	1	107.7850	0.000	1	108.6784	6.716	7	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(SC[6a]Pd)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]N[5])(SC[6a]Pd)(H)2	H(CC[5]HS)	H(CC[5]HS)	108.0687	0.059	3	108.0687	0.003	3	108.0173	1.006	23	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(SC[6a]Ru)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]N[5])(SC[6a]Ru)(H)2	H(CC[5]HS)	H(CC[5]HS)	108.1393	0.066	4	108.1393	0.004	4	108.0173	1.006	23	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(SFe2)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]N[5])(SFe2)(H)2	H(CC[5]HS)	H(CC[5]HS)	108.2170	0.000	1	108.2170	0.000	1	108.0173	1.006	23	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(SPdC)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]N[5])(SPdC)(H)2	H(CC[5]HS)	H(CC[5]HS)	108.0120	0.125	4	108.0120	0.016	4	108.0173	1.006	23	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(SReC)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]N[5])(SReC)(H)2	H(CC[5]HS)	H(CC[5]HS)	109.8970	1.840	2	109.8970	3.385	2	108.0173	1.006	23	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(SCdC)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]N[5]2)(SCdC)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.9540	0.000	1	107.9540	0.000	1	108.0173	1.006	23	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(SCuC)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]N[5]2)(SCuC)(H)2	H(CC[5]HS)	H(CC[5]HS)	106.1840	2.137	2	106.1840	4.566	2	108.0173	1.006	23	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(SFeC)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]N[5]2)(SFeC)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.8515	0.141	2	107.8515	0.020	2	108.0173	1.006	23	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(SNiC)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]N[5]2)(SNiC)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.8877	0.143	4	107.8877	0.021	4	108.0173	1.006	23	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(SeC[6a]Ir)(H)2	H(CC[5]SeH)	H(CC[5]SeH)	C(C[5]C[5]N[5])(SeC[6a]Ir)(H)2	H(CC[5]SeH)	H(CC[5]SeH)	107.9110	0.000	1	107.9110	0.000	1	108.1244	0.012	9	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(SeC[6a]Pd)(H)2	H(CC[5]SeH)	H(CC[5]SeH)	C(C[5]C[5]N[5])(SeC[6a]Pd)(H)2	H(CC[5]SeH)	H(CC[5]SeH)	108.1600	0.073	3	108.1600	0.005	3	108.1244	0.012	9	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(SeC[6a]Rh)(H)2	H(CC[5]SeH)	H(CC[5]SeH)	C(C[5]C[5]N[5])(SeC[6a]Rh)(H)2	H(CC[5]SeH)	H(CC[5]SeH)	107.9870	0.000	1	107.9870	0.000	1	108.1244	0.012	9	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(SeC[6a]Ru)(H)2	H(CC[5]SeH)	H(CC[5]SeH)	C(C[5]C[5]N[5])(SeC[6a]Ru)(H)2	H(CC[5]SeH)	H(CC[5]SeH)	108.1855	0.041	4	108.1855	0.002	4	108.1244	0.012	9	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6]C[5a])(COO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6]C[5a])(COO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6750	0.000	1	107.6750	0.000	1	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6]N[5a])(COO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6]N[5a])(COO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.4450	0.055	2	107.4450	0.003	2	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a,6])(CCH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a,6])(CCH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.8790	0.000	1	107.8790	0.000	1	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a,6])(CC[6a]O)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a,6])(CC[6a]O)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6510	0.030	2	107.6510	0.001	2	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCC)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.5866	0.457	8	107.5866	0.209	8	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.5390	0.321	2	107.5390	0.103	2	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCI)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCI)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.5920	0.000	1	107.5920	0.000	1	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	108.1943	0.056	3	108.1943	0.003	3	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CC[5]C)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CC[5]C)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	108.0680	0.000	1	108.0680	0.000	1	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CC[6]C)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CC[6]C)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.0690	0.000	1	107.0690	0.000	1	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CC[6]O)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CC[6]O)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	108.0040	0.000	1	108.0040	0.000	1	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CC[6a]C)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CC[6a]C)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.2110	0.000	1	107.2110	0.000	1	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.5270	0.000	2	107.5270	0.000	2	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	108.4700	0.244	13	108.4700	0.060	13	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CNO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CNO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6195	0.681	15	107.6195	0.464	15	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CN[6]O)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CN[6]O)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	108.0027	0.616	3	108.0027	0.380	3	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(COO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.8977	2.394	50	107.8977	5.734	50	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]N[5a])(COO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]N[5a])(COO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6250	0.062	2	107.6250	0.004	2	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]S[5a])(COO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]S[5a])(COO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	106.6380	0.000	1	106.6380	0.000	1	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(CCH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]2)(CCH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.5947	0.274	3	107.5947	0.075	3	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(CC[6a]O)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]2)(CC[6a]O)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.5900	0.000	1	107.5900	0.000	1	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(CNO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]2)(CNO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	108.2700	0.000	1	108.2700	0.000	1	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(COO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]2)(COO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.8584	0.248	7	107.8584	0.061	7	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CCC)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCC)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.9600	0.000	1	107.9600	0.000	1	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CCH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.2616	1.125	8	107.2616	1.266	8	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CCO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.5680	0.000	1	107.5680	0.000	1	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CC[5a]2)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC[5a]2)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6443	0.283	3	107.6443	0.080	3	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CC[6a]O)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC[6a]O)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.5410	0.000	1	107.5410	0.000	1	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CNO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CNO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7108	1.051	12	107.7108	1.104	12	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(COO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(COO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	106.8736	1.272	14	106.8736	1.619	14	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(CCC)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CCC)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7125	0.243	2	107.7125	0.059	2	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(CCH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CCH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.9050	0.000	1	107.9050	0.000	1	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(CCO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CCO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7270	0.362	2	107.7270	0.131	2	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(CC[6a]O)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CC[6a]O)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6683	0.237	4	107.6683	0.056	4	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(COO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(COO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6553	0.175	48	107.6553	0.030	48	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(CCC)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]S[5a])(CCC)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.9900	0.000	1	107.9900	0.000	1	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(CC[6a]O)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]S[5a])(CC[6a]O)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.8460	0.000	1	107.8460	0.000	1	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(CHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]S[5a])(CHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6230	0.000	1	107.6230	0.000	1	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(CNO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]S[5a])(CNO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6362	0.134	6	107.6362	0.018	6	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(COO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]S[5a])(COO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.8300	0.000	1	107.8300	0.000	1	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5,5a]C[5a])(COO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5,5a]C[5a])(COO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.5850	0.000	1	107.5850	0.000	1	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,5a]C[5a])(CNO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a,5a]C[5a])(CNO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	108.0280	0.164	3	108.0280	0.027	3	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,5a]C[5a])(COO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a,5a]C[5a])(COO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7173	0.114	3	107.7173	0.013	3	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6a]C[5a])(COO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a,6a]C[5a])(COO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6650	0.000	1	107.6650	0.000	1	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6a]N[5a])(CC[6a]O)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a,6a]N[5a])(CC[6a]O)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.8335	0.282	2	107.8335	0.080	2	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(CCC)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a]2)(CCC)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.9815	0.138	2	107.9815	0.019	2	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(CCH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a]2)(CCH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.9240	0.000	1	107.9240	0.000	1	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(CC[6a]O)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a]2)(CC[6a]O)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6995	0.325	2	107.6995	0.105	2	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(CNO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a]2)(CNO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	109.7090	0.000	1	109.7090	0.000	1	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(COO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a]2)(COO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7287	0.213	3	107.7287	0.046	3	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]O[5a])(CNO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a]O[5a])(CNO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	108.2830	0.000	1	108.2830	0.000	1	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]S[5a])(CC[6a]O)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a]S[5a])(CC[6a]O)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	108.4420	0.000	1	108.4420	0.000	1	107.7275	1.470	250	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	107.4790	0.000	1	107.4790	0.000	1	107.4524	0.317	21	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6]N[5])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6]N[5])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	107.5840	0.000	1	107.5840	0.000	1	107.4524	0.317	21	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	107.2397	0.724	10	107.2397	0.524	10	107.4524	0.317	21	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(C[5]N[5]2)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5a]C[5a]2)(C[5]N[5]2)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	107.8270	0.000	1	107.8270	0.000	1	107.4524	0.317	21	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	107.6681	0.337	7	107.6681	0.114	7	107.4524	0.317	21	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(C[5]N[5]2)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5a]N[5a]2)(C[5]N[5]2)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	107.5360	0.000	1	107.5360	0.000	1	107.4524	0.317	21	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6]N[5a,6])(C[5a]N[5a,6]C[5a])(H)2	H(CC[5a]2H)	H(CC[5a]2H)	C(C[5a]C[5a,6]N[5a,6])(C[5a]N[5a,6]C[5a])(H)2	H(CC[5a]2H)	H(CC[5a]2H)	107.7540	0.000	1	107.7540	0.000	1	107.7849	1.604	87	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6]S[5a])2(H)2	H(CC[5a]2H)	H(CC[5a]2H)	C(C[5a]C[5a,6]S[5a])2(H)2	H(CC[5a]2H)	H(CC[5a]2H)	107.3250	0.000	1	107.3250	0.000	1	107.7849	1.604	87	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	H(CC[5a]2H)	H(CC[5a]2H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	H(CC[5a]2H)	H(CC[5a]2H)	107.5460	0.000	1	107.5460	0.000	1	107.7849	1.604	87	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])2(H)2	H(CC[5a]2H)	H(CC[5a]2H)	C(C[5a]C[5a,6a]C[5a])2(H)2	H(CC[5a]2H)	H(CC[5a]2H)	107.5893	0.048	7	107.5893	0.002	7	107.7849	1.604	87	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]N[5a])(C[5a]N[5a]S[5a])(H)2	H(CC[5a]2H)	H(CC[5a]2H)	C(C[5a]C[5a,6a]N[5a])(C[5a]N[5a]S[5a])(H)2	H(CC[5a]2H)	H(CC[5a]2H)	107.1355	0.093	2	107.1355	0.009	2	107.7849	1.604	87	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)2(H)2	H(CC[5a]2H)	H(CC[5a]2H)	C(C[5a]C[5a]2)2(H)2	H(CC[5a]2H)	H(CC[5a]2H)	107.9629	1.405	11	107.9629	1.975	11	107.7849	1.604	87	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	H(CC[5a]2H)	H(CC[5a]2H)	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	H(CC[5a]2H)	H(CC[5a]2H)	108.0487	0.501	3	108.0487	0.251	3	107.7849	1.604	87	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])2(H)2	H(CC[5a]2H)	H(CC[5a]2H)	C(C[5a]C[5a]N[5a])2(H)2	H(CC[5a]2H)	H(CC[5a]2H)	107.8075	2.167	21	107.8075	4.694	21	107.7849	1.604	87	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(C[5a]C[5a]2)(H)2	H(CC[5a]2H)	H(CC[5a]2H)	C(C[5a]C[5a]S[5a])(C[5a]C[5a]2)(H)2	H(CC[5a]2H)	H(CC[5a]2H)	105.9040	0.144	2	105.9040	0.021	2	107.7849	1.604	87	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	H(CC[5a]2H)	H(CC[5a]2H)	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	H(CC[5a]2H)	H(CC[5a]2H)	107.7874	0.177	8	107.7874	0.031	8	107.7849	1.604	87	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(C[5a]N[5a]S[5a])(H)2	H(CC[5a]2H)	H(CC[5a]2H)	C(C[5a]C[5a]S[5a])(C[5a]N[5a]S[5a])(H)2	H(CC[5a]2H)	H(CC[5a]2H)	107.6040	0.000	1	107.6040	0.000	1	107.7849	1.604	87	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)2(H)2	H(CC[5a]2H)	H(CC[5a]2H)	C(C[5a]N[5a]2)2(H)2	H(CC[5a]2H)	H(CC[5a]2H)	107.9118	0.731	27	107.9118	0.534	27	107.7849	1.604	87	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]O[5a])2(H)2	H(CC[5a]2H)	H(CC[5a]2H)	C(C[5a]N[5a]O[5a])2(H)2	H(CC[5a]2H)	H(CC[5a]2H)	108.0910	0.000	1	108.0910	0.000	1	107.7849	1.604	87	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]S[5a])(C[5a]N[5a]2)(H)2	H(CC[5a]2H)	H(CC[5a]2H)	C(C[5a]N[5a]S[5a])(C[5a]N[5a]2)(H)2	H(CC[5a]2H)	H(CC[5a]2H)	108.1490	0.000	1	108.1490	0.000	1	107.7849	1.604	87	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	108.4700	0.000	1	108.4700	0.000	1	107.9050	0.241	3	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(C[6]C[6]2)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	C(C[5a]C[5a]2)(C[6]C[6]2)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	107.5800	0.000	1	107.5800	0.000	1	107.9050	0.241	3	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	107.6650	0.000	1	107.6650	0.000	1	107.9050	0.241	3	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	C(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	107.6080	0.086	2	107.6080	0.007	2	107.7384	0.615	155	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	107.6475	0.419	25	107.6475	0.175	25	107.7384	0.615	155	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	107.3070	0.000	1	107.3070	0.000	1	107.7384	0.615	155	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	107.6450	0.000	1	107.6450	0.000	1	107.7384	0.615	155	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	107.6693	0.476	23	107.6693	0.226	23	107.7384	0.615	155	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	109.8480	0.000	1	109.8480	0.000	1	107.7384	0.615	155	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	107.6383	0.428	41	107.6383	0.183	41	107.7384	0.615	155	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	107.6763	0.316	9	107.6763	0.100	9	107.7384	0.615	155	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	107.6677	0.158	10	107.6677	0.025	10	107.7384	0.615	155	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	C(C[5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	107.8870	0.098	2	107.8870	0.010	2	107.7384	0.615	155	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	107.5843	0.227	3	107.5843	0.051	3	107.7384	0.615	155	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	107.2300	0.000	1	107.2300	0.000	1	107.7384	0.615	155	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	107.7406	0.179	30	107.7406	0.032	30	107.7384	0.615	155	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	111.9425	5.875	2	111.9425	34.520	2	107.7384	0.615	155	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	107.7635	0.320	4	107.7635	0.102	4	107.7384	0.615	155	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6]S[5a])(NCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a,6]S[5a])(NCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.9350	0.000	1	107.9350	0.000	1	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(NCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a,6a]C[5a])(NCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.8285	0.169	2	107.8285	0.029	2	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(NCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a,6a]C[5a])(NCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.9770	0.000	1	107.9770	0.000	1	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(NCS)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a,6a]C[5a])(NCS)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.8410	0.000	1	107.8410	0.000	1	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(NCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]2)(NCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.1715	0.159	2	108.1715	0.025	2	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(NCS)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]2)(NCS)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	109.3452	0.128	4	109.3452	0.016	4	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(NC[6a]C)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]2)(NC[6a]C)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.7477	0.220	3	107.7477	0.048	3	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(NC[6a]H)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]2)(NC[6a]H)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.9840	0.000	1	107.9840	0.000	1	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.7248	0.481	50	107.7248	0.231	50	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.1935	0.936	20	108.1935	0.876	20	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NCS)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NCS)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.8583	0.322	3	107.8583	0.104	3	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NC[5]2)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NC[5]2)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.1250	0.000	1	108.1250	0.000	1	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NC[5a]C)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NC[5a]C)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.7010	0.105	2	107.7010	0.011	2	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NC[6a]2)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NC[6a]2)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.7610	0.000	1	107.7610	0.000	1	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NC[6a]Al)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NC[6a]Al)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.2055	0.021	2	107.2055	0.000	2	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NC[6a]C)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NC[6a]C)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.8573	0.298	6	107.8573	0.089	6	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.7554	0.195	5	107.7554	0.038	5	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NC[6a]S)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NC[6a]S)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.0570	0.000	1	108.0570	0.000	1	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NHS)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NHS)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.3430	0.000	1	107.3430	0.000	1	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NSS)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NSS)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.9380	0.000	1	107.9380	0.000	1	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NZnC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NZnC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.0705	0.086	2	108.0705	0.007	2	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(NCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.6692	0.191	10	107.6692	0.036	10	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(NCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.1469	1.517	16	108.1469	2.302	16	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(NCS)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NCS)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.9710	0.031	2	107.9710	0.001	2	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(NC[6]C)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NC[6]C)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.8080	0.000	1	107.8080	0.000	1	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(NC[6]H)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NC[6]H)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	104.0293	6.680	3	104.0293	44.624	3	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(NC[6a]C)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NC[6a]C)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.7290	0.000	2	107.7290	0.000	2	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(NC[6a]H)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NC[6a]H)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.2587	1.528	22	108.2587	2.336	22	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(NCoC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NCoC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.5125	0.349	2	107.5125	0.122	2	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(NFeC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NFeC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.6822	0.549	4	107.6822	0.302	4	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(NHH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NHH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.4670	0.127	2	107.4670	0.016	2	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(NHP)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NHP)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.0250	0.000	1	108.0250	0.000	1	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(NPdC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NPdC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.9660	0.000	1	107.9660	0.000	1	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(NZnC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NZnC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.0330	0.000	1	108.0330	0.000	1	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(NCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]S[5a])(NCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.0156	0.714	7	108.0156	0.509	7	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(NCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]S[5a])(NCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.7470	0.200	9	107.7470	0.040	9	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(NCS)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]S[5a])(NCS)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.6490	0.083	2	107.6490	0.007	2	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(NC[6]H)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]S[5a])(NC[6]H)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.8830	0.000	1	107.8830	0.000	1	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(NPdC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]S[5a])(NPdC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.1520	0.000	1	108.1520	0.000	1	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6]N[5a])(NC[6a]H)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]N[5a,6]N[5a])(NC[6a]H)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.3010	0.000	1	108.3010	0.000	1	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6a]C[5a])(NCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]N[5a,6a]C[5a])(NCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.5475	2.210	4	107.5475	4.884	4	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6a]C[5a])(NC[6a]C)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]N[5a,6a]C[5a])(NC[6a]C)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	111.6450	0.000	1	111.6450	0.000	1	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6a]C[5a])(NC[6a]H)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]N[5a,6a]C[5a])(NC[6a]H)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.9580	0.000	1	107.9580	0.000	1	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(NCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]N[5a]2)(NCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.0041	0.260	32	108.0041	0.067	32	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(NCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]N[5a]2)(NCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.9973	0.268	12	107.9973	0.072	12	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(NCN)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]N[5a]2)(NCN)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.8175	0.169	2	107.8175	0.029	2	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(NC[6]C)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]N[5a]2)(NC[6]C)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.0270	0.000	1	108.0270	0.000	1	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(NC[6a]C)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]N[5a]2)(NC[6a]C)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.8040	0.000	1	107.8040	0.000	1	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(NC[6a]H)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]N[5a]2)(NC[6a]H)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.2475	0.575	2	108.2475	0.330	2	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]O[5a])(NOO)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]N[5a]O[5a])(NOO)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.0440	0.000	1	108.0440	0.000	1	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]S[5a])(NCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]N[5a]S[5a])(NCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.0773	0.111	3	108.0773	0.012	3	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]S[5a])(NCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]N[5a]S[5a])(NCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.0790	0.082	2	108.0790	0.007	2	107.9140	1.175	260	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5,5]C[5])(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	C(C[5a]C[5a]N[5a])(N[5]C[5,5]C[5])(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	107.9405	0.066	2	107.9405	0.004	2	107.8577	0.141	60	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	107.8976	0.113	5	107.8976	0.013	5	107.8577	0.141	60	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	107.9098	0.379	14	107.9098	0.144	14	107.8577	0.141	60	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	107.7727	0.281	20	107.7727	0.079	20	107.8577	0.141	60	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]S[5])(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	C(C[5a]C[5a]N[5a])(N[5]C[5]S[5])(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	107.6660	0.000	1	107.6660	0.000	1	107.8577	0.141	60	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	107.8573	0.077	6	107.8573	0.006	6	107.8577	0.141	60	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(N[5]C[5]2)(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	C(C[5a]C[5a]O[5a])(N[5]C[5]2)(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	107.8650	0.204	2	107.8650	0.041	2	107.8577	0.141	60	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	107.9177	0.106	3	107.9177	0.011	3	107.8577	0.141	60	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	107.9444	0.863	7	107.9444	0.745	7	107.8577	0.141	60	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	107.8027	0.109	3	107.8027	0.012	3	107.7358	2.650	30	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	107.6057	0.545	3	107.6057	0.297	3	107.7358	2.650	30	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	107.9160	0.088	6	107.9160	0.008	6	107.7358	2.650	30	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5a]N[5a]2)(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	C(C[5a]C[5a]N[5a])(N[5a]N[5a]2)(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	107.9815	0.074	2	107.9815	0.006	2	107.7358	2.650	30	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(N[5a]C[5a]2)(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	C(C[5a]C[5a]O[5a])(N[5a]C[5a]2)(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	107.7450	0.052	2	107.7450	0.003	2	107.7358	2.650	30	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(N[5a]C[5a]N[5a])(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	C(C[5a]C[5a]S[5a])(N[5a]C[5a]N[5a])(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	107.9047	0.115	3	107.9047	0.013	3	107.7358	2.650	30	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6]N[5a])(N[5a]C[5a]N[5a])(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	C(C[5a]N[5a,6]N[5a])(N[5a]C[5a]N[5a])(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	108.0490	0.000	1	108.0490	0.000	1	107.7358	2.650	30	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(N[5a]C[5a]2)(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	C(C[5a]N[5a]2)(N[5a]C[5a]2)(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	105.3355	3.224	4	105.3355	10.395	4	107.7358	2.650	30	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(N[5a]N[5a]2)(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	C(C[5a]N[5a]2)(N[5a]N[5a]2)(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	109.9957	1.712	3	109.9957	2.930	3	107.7358	2.650	30	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]O[5a])(N[5a]C[5a]N[5a])(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	C(C[5a]N[5a]O[5a])(N[5a]C[5a]N[5a])(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	108.1180	0.000	1	108.1180	0.000	1	107.7358	2.650	30	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]S[5a])(N[5a]C[5a]N[5a])(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	C(C[5a]N[5a]S[5a])(N[5a]C[5a]N[5a])(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	107.8445	0.142	2	107.8445	0.020	2	107.7358	2.650	30	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(N[6]C[6]2)(H)2	H(CC[5a]N[6]H)	H(CC[5a]N[6]H)	C(C[5a]C[5a]2)(N[6]C[6]2)(H)2	H(CC[5a]N[6]H)	H(CC[5a]N[6]H)	107.5680	0.000	1	107.5680	0.000	1	108.0222	0.267	28	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	H(CC[5a]N[6]H)	H(CC[5a]N[6]H)	C(C[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	H(CC[5a]N[6]H)	H(CC[5a]N[6]H)	108.0828	0.281	5	108.0828	0.079	5	108.0222	0.267	28	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	H(CC[5a]N[6]H)	H(CC[5a]N[6]H)	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	H(CC[5a]N[6]H)	H(CC[5a]N[6]H)	107.8707	0.151	6	107.8707	0.023	6	108.0222	0.267	28	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(H)2	H(CC[5a]N[6]H)	H(CC[5a]N[6]H)	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(H)2	H(CC[5a]N[6]H)	H(CC[5a]N[6]H)	107.8180	0.000	1	107.8180	0.000	1	108.0222	0.267	28	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	H(CC[5a]N[6]H)	H(CC[5a]N[6]H)	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	H(CC[5a]N[6]H)	H(CC[5a]N[6]H)	108.1561	0.796	10	108.1561	0.634	10	108.0222	0.267	28	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6a]C[5a])(N[6]C[6]2)(H)2	H(CC[5a]N[6]H)	H(CC[5a]N[6]H)	C(C[5a]N[5a,6a]C[5a])(N[6]C[6]2)(H)2	H(CC[5a]N[6]H)	H(CC[5a]N[6]H)	107.6200	0.000	1	107.6200	0.000	1	108.0222	0.267	28	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	H(CC[5a]N[6]H)	H(CC[5a]N[6]H)	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	H(CC[5a]N[6]H)	H(CC[5a]N[6]H)	108.2420	0.181	3	108.2420	0.033	3	108.0222	0.267	28	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]O[5a])(N[6]C[6]2)(H)2	H(CC[5a]N[6]H)	H(CC[5a]N[6]H)	C(C[5a]N[5a]O[5a])(N[6]C[6]2)(H)2	H(CC[5a]N[6]H)	H(CC[5a]N[6]H)	107.6920	0.000	1	107.6920	0.000	1	108.0222	0.267	28	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	H(CC[5a]N[6a]H)	H(CC[5a]N[6a]H)	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	H(CC[5a]N[6a]H)	H(CC[5a]N[6a]H)	107.8268	0.160	4	107.8268	0.026	4	107.9213	0.026	10	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(N[6a]C[6a]2)(H)2	H(CC[5a]N[6a]H)	H(CC[5a]N[6a]H)	C(C[5a]C[5a]O[5a])(N[6a]C[6a]2)(H)2	H(CC[5a]N[6a]H)	H(CC[5a]N[6a]H)	107.9680	0.000	1	107.9680	0.000	1	107.9213	0.026	10	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(H)2	H(CC[5a]N[6a]H)	H(CC[5a]N[6a]H)	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(H)2	H(CC[5a]N[6a]H)	H(CC[5a]N[6a]H)	107.8970	0.021	2	107.8970	0.000	2	107.9213	0.026	10	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(N[6a]C[6a]2)(H)2	H(CC[5a]N[6a]H)	H(CC[5a]N[6a]H)	C(C[5a]N[5a]2)(N[6a]C[6a]2)(H)2	H(CC[5a]N[6a]H)	H(CC[5a]N[6a]H)	108.1540	0.074	2	108.1540	0.005	2	107.9213	0.026	10	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:N[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]S[5a])(N[6a]C[6a]2)(H)2	H(CC[5a]N[6a]H)	H(CC[5a]N[6a]H)	C(C[5a]N[5a]S[5a])(N[6a]C[6a]2)(H)2	H(CC[5a]N[6a]H)	H(CC[5a]N[6a]H)	107.8360	0.000	1	107.8360	0.000	1	107.9213	0.026	10	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(OCuC)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]N[5a]2)(OCuC)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	108.9403	0.178	3	108.9403	0.032	3	108.9403	0.032	3	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:P-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(PCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	C(C[5a]C[5a]N[5a])(PCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	107.4878	0.104	4	107.4878	0.011	4	107.4742	0.009	5	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:P-3:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6]C[5a])(PCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	C(C[5a]N[5a,6]C[5a])(PCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	107.4200	0.000	1	107.4200	0.000	1	107.4742	0.009	5	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(SCuC)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	C(C[5a]C[5a]N[5a])(SCuC)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	109.5430	0.000	1	109.5430	0.000	1	108.5447	0.816	3	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[5a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(SFe2)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	C(C[5a]C[5a]O[5a])(SFe2)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	108.0455	0.370	2	108.0455	0.137	2	108.5447	0.816	3	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6,6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(CHN)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6])(CHN)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.2590	0.000	1	107.2590	0.000	1	107.2590	0.000	1	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,6]C[6])(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[3,6]C[6])(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5940	0.000	1	107.5940	0.000	1	107.5520	4.203	78	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6])(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6])(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.0720	0.093	2	108.0720	0.009	2	107.5520	4.203	78	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6])(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6])(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.2050	0.000	1	108.2050	0.000	1	107.5520	4.203	78	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6])(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6])(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4810	0.000	1	107.4810	0.000	1	107.5520	4.203	78	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6])(CCC)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6])(CCC)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4280	0.000	1	107.4280	0.000	1	107.5520	4.203	78	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6])(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6])(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5390	0.000	1	107.5390	0.000	1	107.5520	4.203	78	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6])(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6])(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6995	0.040	4	107.6995	0.002	4	107.5520	4.203	78	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6])(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6])(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7220	0.031	2	107.7220	0.001	2	107.5520	4.203	78	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(CCC)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(CCC)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4968	0.246	13	107.4968	0.061	13	107.5520	4.203	78	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2597	0.947	15	107.2597	0.898	15	107.5520	4.203	78	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5343	0.321	3	107.5343	0.103	3	107.5520	4.203	78	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8140	0.000	1	107.8140	0.000	1	107.5520	4.203	78	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(CNO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(CNO)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.1680	0.000	1	108.1680	0.000	1	107.5520	4.203	78	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.1970	3.405	5	108.1970	11.595	5	107.5520	4.203	78	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(CFeO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CFeO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.9196	0.056	14	107.9196	0.003	14	107.5520	4.203	78	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(CHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	92.1825	0.000	1	92.1825	0.000	1	107.5520	4.203	78	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(CNO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CNO)(H)2	H(CC[6]CH)	H(CC[6]CH)	109.5400	0.290	2	109.5400	0.084	2	107.5520	4.203	78	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6])(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6966	0.273	5	107.6966	0.075	5	107.5520	4.203	78	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6])(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6])(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	111.0160	0.000	1	111.0160	0.000	1	107.5520	4.203	78	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6])(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6])(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8240	0.000	1	107.8240	0.000	1	107.5520	4.203	78	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6])(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6])(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5780	0.089	2	107.5780	0.008	2	107.5520	4.203	78	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]N[5,6]C[6])(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]N[5,6]C[6])(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8870	0.000	1	107.8870	0.000	1	107.5520	4.203	78	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(C[5a]N[5a]2)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	C(C[6]C[6]N[6])(C[5a]N[5a]2)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	107.6170	0.000	1	107.6170	0.000	1	107.6170	0.000	1	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6])2(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6,6]C[6])2(H)2	H(CC[6]2H)	H(CC[6]2H)	107.8215	0.032	2	107.8215	0.001	2	107.5330	0.222	46	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6])(C[6]C[6]N[6])(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6,6a]N[6])(C[6]C[6]N[6])(H)2	H(CC[6]2H)	H(CC[6]2H)	107.5710	0.000	1	107.5710	0.000	1	107.5330	0.222	46	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)2(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6]2)2(H)2	H(CC[6]2H)	H(CC[6]2H)	107.5357	0.462	32	107.5357	0.214	32	107.5330	0.222	46	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])2(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6]N[6])2(H)2	H(CC[6]2H)	H(CC[6]2H)	107.5882	0.419	10	107.5882	0.176	10	107.5330	0.222	46	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]2)2(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]N[6]2)2(H)2	H(CC[6]2H)	H(CC[6]2H)	106.2820	0.000	1	106.2820	0.000	1	107.5330	0.222	46	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[3x6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[3x6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.7845	0.486	2	107.7845	0.236	2	107.8049	0.256	30	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5x3,5x5,21x6]C[4,6])(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[5x3,5x5,21x6]C[4,6])(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.3870	0.000	1	107.3870	0.000	1	107.8049	0.256	30	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.6163	0.207	4	107.6163	0.043	4	107.8049	0.256	30	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]O[6])(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6,6]O[6])(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.7790	0.000	1	107.7790	0.000	1	107.8049	0.256	30	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.6420	0.000	1	107.6420	0.000	1	107.8049	0.256	30	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	108.0904	0.288	5	108.0904	0.083	5	107.8049	0.256	30	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.8111	0.677	14	107.8111	0.458	14	107.8049	0.256	30	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.7480	0.163	2	107.7480	0.026	2	107.8049	0.256	30	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:Ge[4]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(Ge[4]N[4]2)(H)2	H(CGe[4]C[6]H)	H(CGe[4]C[6]H)	C(C[6]C[6]N[6])(Ge[4]N[4]2)(H)2	H(CGe[4]C[6]H)	H(CGe[4]C[6]H)	108.0020	0.000	1	108.0020	0.000	1	108.0020	0.000	1	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,6]C[6])(NC[6a]C)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[3,6]C[6])(NC[6a]C)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.2720	0.000	1	108.2720	0.000	1	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6])(NCS)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[5,6]C[6])(NCS)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.1600	0.000	1	108.1600	0.000	1	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6])(NHS)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6,6]C[6])(NHS)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9720	0.000	1	107.9720	0.000	1	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(NCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2)(NCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8581	0.131	8	107.8581	0.017	8	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(NCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2)(NCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.6734	0.263	41	107.6734	0.069	41	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(NCS)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2)(NCS)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.1450	0.000	1	108.1450	0.000	1	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(NC[6]H)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2)(NC[6]H)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.6197	0.226	6	107.6197	0.051	6	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(NC[6a]C)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2)(NC[6a]C)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.6545	0.660	2	107.6545	0.435	2	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(NC[6a]H)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2)(NC[6a]H)(H)2	H(CC[6]HN)	H(CC[6]HN)	113.2905	7.813	2	113.2905	61.040	2	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(NFeC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2)(NFeC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.7860	0.000	1	107.7860	0.000	1	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(NPP)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2)(NPP)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.2130	0.000	1	107.2130	0.000	1	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(NPdC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2)(NPdC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.0980	0.000	1	108.0980	0.000	1	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NAlC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NAlC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.1910	0.000	2	108.1910	0.000	2	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NAlP)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NAlP)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.3130	0.000	1	108.3130	0.000	1	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.2424	0.940	93	108.2424	0.884	93	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.7686	0.633	24	107.7686	0.400	24	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NCP)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCP)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.6792	0.209	5	107.6792	0.044	5	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NCS)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCS)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8908	0.142	6	107.8908	0.020	6	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NCV)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCV)(H)2	H(CC[6]HN)	H(CC[6]HN)	99.5143	0.000	1	99.5143	0.000	1	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[5,6]Cu)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[5,6]Cu)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8860	0.000	1	107.8860	0.000	1	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[5]Co)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[5]Co)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9600	0.000	1	107.9600	0.000	1	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[5]Cu)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[5]Cu)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.2443	0.158	7	108.2443	0.025	7	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[5]Pd)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[5]Pd)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.3190	0.000	1	108.3190	0.000	1	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]C)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]C)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.4685	0.019	2	107.4685	0.000	2	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]H)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]H)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.5120	0.076	3	107.5120	0.006	3	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]Ni)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]Ni)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.7400	0.020	2	107.7400	0.000	2	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]C)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]C)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.6735	0.172	8	107.6735	0.030	8	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]Cr)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]Cr)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9753	0.060	3	107.9753	0.004	3	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]Fe)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]Fe)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9653	0.031	3	107.9653	0.001	3	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]H)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]H)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.7805	0.220	2	107.7805	0.048	2	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]N)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]N)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.2730	0.000	1	107.2730	0.000	1	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]Ni)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]Ni)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9660	0.000	1	107.9660	0.000	1	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]Pd)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]Pd)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.0250	0.353	3	108.0250	0.125	3	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]Pt)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]Pt)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.5873	0.531	3	107.5873	0.282	3	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]Re)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]Re)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.3003	0.064	11	108.3003	0.004	11	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NCdC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCdC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.6795	0.021	2	107.6795	0.000	2	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NCoC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCoC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.0508	0.359	6	108.0508	0.129	6	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NCrC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCrC)(H)2	H(CC[6]HN)	H(CC[6]HN)	109.0335	1.402	2	109.0335	1.966	2	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NCuC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.3616	0.715	21	108.3616	0.511	21	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NCuN)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuN)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.2322	0.315	4	108.2322	0.099	4	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NFeC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.3770	2.826	21	107.3770	7.985	21	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NFeH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8104	2.512	8	107.8104	6.308	8	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NHS)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NHS)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.7870	0.000	1	107.7870	0.000	1	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NLiC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NLiC)(H)2	H(CC[6]HN)	H(CC[6]HN)	103.1970	0.000	1	103.1970	0.000	1	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NMnH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NMnH)(H)2	H(CC[6]HN)	H(CC[6]HN)	102.0340	0.000	1	102.0340	0.000	1	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NNiC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NNiC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.0023	0.254	10	108.0023	0.065	10	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NNiH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NNiH)(H)2	H(CC[6]HN)	H(CC[6]HN)	112.1260	9.898	2	112.1260	97.972	2	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NNiS)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NNiS)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9550	0.000	1	107.9550	0.000	1	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NOsC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NOsC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.0390	0.000	1	108.0390	0.000	1	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NPdC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NPdC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.0623	0.139	7	108.0623	0.019	7	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NPdP)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NPdP)(H)2	H(CC[6]HN)	H(CC[6]HN)	106.1071	4.464	4	106.1071	19.930	4	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NPtC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NPtC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.5370	0.000	1	108.5370	0.000	1	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NReC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NReC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9180	0.000	1	107.9180	0.000	1	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NRhC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NRhC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.9990	0.051	3	108.9990	0.003	3	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NRuC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NRuC)(H)2	H(CC[6]HN)	H(CC[6]HN)	103.8346	10.090	4	103.8346	101.801	4	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NRuH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NRuH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.1590	0.000	1	108.1590	0.000	1	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NSiH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NSiH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.7375	0.083	2	107.7375	0.007	2	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NSnC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NSnC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.3365	0.059	2	107.3365	0.003	2	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NZnC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NZnC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.1428	0.433	13	108.1428	0.188	13	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NZnH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NZnH)(H)2	H(CC[6]HN)	H(CC[6]HN)	102.1553	5.085	3	102.1553	25.858	3	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]N[5,6]C[6])(NC[6]C)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]N[5,6]C[6])(NC[6]C)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9650	0.000	1	107.9650	0.000	1	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]N[6,6]C[6])(NCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]N[6,6]C[6])(NCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	109.4670	0.000	1	109.4670	0.000	1	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]2)(NCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]N[6]2)(NCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9180	0.554	2	107.9180	0.307	2	107.8754	3.553	376	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(N[5]C[5]2)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	108.0567	0.877	19	108.0567	0.769	19	107.9370	0.414	166	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	107.9907	0.760	87	107.9907	0.578	87	107.9370	0.414	166	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	107.8240	0.246	58	107.8240	0.060	58	107.9370	0.414	166	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(N[5]N[5]P[5])(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]N[5]P[5])(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	107.7435	0.078	2	107.7435	0.006	2	107.9370	0.414	166	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(N[5a]C[5a]2)(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	C(C[6]C[6]N[6])(N[5a]C[5a]2)(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	107.6640	0.000	1	107.6640	0.000	1	107.6640	0.000	1	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6])(N[6]C[6]2)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	C(C[6]C[6,6a]C[6])(N[6]C[6]2)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	108.1835	0.083	4	108.1835	0.007	4	107.4519	4.060	47	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(N[6]C[6]2)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	C(C[6]C[6]2)(N[6]C[6]2)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	107.2815	2.245	37	107.2815	5.038	37	107.4519	4.060	47	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(N[6]C[6,6a]2)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	C(C[6]C[6]N[6])(N[6]C[6,6a]2)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	107.7980	0.000	1	107.7980	0.000	1	107.4519	4.060	47	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	108.0586	0.210	5	108.0586	0.044	5	107.4519	4.060	47	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	H(CN[6a]C[6]H)	H(CN[6a]C[6]H)	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	H(CN[6a]C[6]H)	H(CN[6a]C[6]H)	107.9887	0.093	4	107.9887	0.009	4	107.9887	0.009	4	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(OCU)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2)(OCU)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.3640	0.185	7	108.3640	0.034	7	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(OCuH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2)(OCuH)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.1370	0.000	1	108.1370	0.000	1	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(OFe2)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2)(OFe2)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.9680	0.000	1	108.9680	0.000	1	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OC[5]Co)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC[5]Co)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.2085	0.367	4	108.2085	0.135	4	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OC[6]Co)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC[6]Co)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.2195	0.409	2	108.2195	0.168	2	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OC[6a]Ru)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC[6a]Ru)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.6000	0.000	1	108.6000	0.000	1	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OCaH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCaH)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.1040	0.056	5	108.1040	0.003	5	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OCdC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCdC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.3990	0.051	2	108.3990	0.003	2	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OCo2)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCo2)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.2370	0.000	1	108.2370	0.000	1	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OCoC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCoC)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.7445	1.699	6	107.7445	2.888	6	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OCoH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCoH)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.1156	0.144	14	108.1156	0.021	14	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OCr2)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCr2)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.1627	0.245	6	108.1627	0.060	6	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OCu2)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCu2)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.2240	0.103	2	108.2240	0.011	2	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OCuC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCuC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.3324	0.240	5	108.3324	0.058	5	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OCuH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCuH)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.0865	0.163	12	108.0865	0.027	12	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OFeC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OFeC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.4088	0.126	5	108.4088	0.016	5	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OFeH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OFeH)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.1960	0.081	6	108.1960	0.007	6	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OMgC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OMgC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.2880	0.178	4	108.2880	0.032	4	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OMn2)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OMn2)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.0323	0.206	3	108.0323	0.043	3	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OMnB)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OMnB)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.0580	0.000	1	108.0580	0.000	1	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OMnC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OMnC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.4485	0.022	2	108.4485	0.000	2	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OMnH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OMnH)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.5690	1.813	8	107.5690	3.287	8	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OMoC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OMoC)(H)2	H(CC[6]HO)	H(CC[6]HO)	111.0025	3.304	2	111.0025	10.918	2	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(ONiC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(ONiC)(H)2	H(CC[6]HO)	H(CC[6]HO)	111.7600	0.000	1	111.7600	0.000	1	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(ONiH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(ONiH)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.3397	0.844	18	108.3397	0.713	18	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OReH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OReH)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.8430	0.000	1	107.8430	0.000	1	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(ORhC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(ORhC)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.9790	0.000	1	107.9790	0.000	1	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(ORu2)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(ORu2)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.9435	0.078	2	107.9435	0.006	2	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(ORuC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(ORuC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.0510	0.218	2	108.0510	0.047	2	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(ORuH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(ORuH)(H)2	H(CC[6]HO)	H(CC[6]HO)	106.4475	2.763	2	106.4475	7.632	2	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OZn2)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OZn2)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.8535	0.070	2	107.8535	0.005	2	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OZnH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OZnH)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.1810	0.045	2	108.1810	0.002	2	108.1979	0.863	131	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:P-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	107.6870	0.354	3	107.6870	0.125	3	107.8808	0.156	5	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:P-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.1715	0.302	2	108.1715	0.091	2	107.8808	0.156	5	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(SCO)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]2)(SCO)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.3597	5.614	3	107.3597	31.521	3	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(SC[6a]O)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]2)(SC[6a]O)(H)2	H(CC[6]HS)	H(CC[6]HS)	109.4650	0.000	1	109.4650	0.000	1	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SAgC)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SAgC)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.6695	0.769	2	107.6695	0.591	2	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a]Co)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a]Co)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.6955	0.207	2	107.6955	0.043	2	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a]Cu)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a]Cu)(H)2	H(CC[6]HS)	H(CC[6]HS)	108.3405	1.610	2	108.3405	2.592	2	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a]Fe)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a]Fe)(H)2	H(CC[6]HS)	H(CC[6]HS)	108.7675	2.011	10	108.7675	4.045	10	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a]Ir)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a]Ir)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.9143	0.138	3	107.9143	0.019	3	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a]Ni)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a]Ni)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.5608	4.998	9	107.5608	24.979	9	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a]Pd)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a]Pd)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.7347	0.202	10	107.7347	0.041	10	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a]Rh)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a]Rh)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.7923	0.103	3	107.7923	0.011	3	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a]Ru)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a]Ru)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.9525	0.145	4	107.9525	0.021	4	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SC[6a]V)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SC[6a]V)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.5255	0.019	2	107.5255	0.000	2	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SCdC)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SCdC)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.5867	0.480	7	107.5867	0.230	7	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SCoC)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SCoC)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.6918	0.198	6	107.6918	0.039	6	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SCrC)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SCrC)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.8253	0.452	6	107.8253	0.204	6	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SCuC)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SCuC)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.8665	0.588	17	107.8665	0.345	17	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SFe2)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SFe2)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.8000	0.074	2	107.8000	0.005	2	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SFeC)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SFeC)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.6134	0.307	9	107.6134	0.094	9	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SHgC)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SHgC)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.5830	0.328	2	107.5830	0.108	2	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SIrC)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SIrC)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.5790	0.052	2	107.5790	0.003	2	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SMnC)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SMnC)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.8447	0.111	3	107.8447	0.012	3	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SNiC)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SNiC)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.5986	0.753	21	107.5986	0.566	21	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SPt2)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SPt2)(H)2	H(CC[6]HS)	H(CC[6]HS)	108.8770	0.000	1	108.8770	0.000	1	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SPtC)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SPtC)(H)2	H(CC[6]HS)	H(CC[6]HS)	110.7635	4.685	4	110.7635	21.946	4	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SReC)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SReC)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.5731	0.195	7	107.5731	0.038	7	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SRu2)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SRu2)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.7985	0.042	2	107.7985	0.002	2	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SRuC)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SRuC)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.8013	0.297	4	107.8013	0.088	4	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SZnC)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SZnC)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.3725	0.091	2	107.3725	0.008	2	107.8766	3.047	146	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SeC[6a]Ir)(H)2	H(CC[6]SeH)	H(CC[6]SeH)	C(C[6]C[6]N[6])(SeC[6a]Ir)(H)2	H(CC[6]SeH)	H(CC[6]SeH)	107.8390	0.000	1	107.8390	0.000	1	107.7075	0.064	15	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SeC[6a]Pd)(H)2	H(CC[6]SeH)	H(CC[6]SeH)	C(C[6]C[6]N[6])(SeC[6a]Pd)(H)2	H(CC[6]SeH)	H(CC[6]SeH)	107.7922	0.296	6	107.7922	0.088	6	107.7075	0.064	15	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SeC[6a]Rh)(H)2	H(CC[6]SeH)	H(CC[6]SeH)	C(C[6]C[6]N[6])(SeC[6a]Rh)(H)2	H(CC[6]SeH)	H(CC[6]SeH)	107.7260	0.000	1	107.7260	0.000	1	107.7075	0.064	15	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SeC[6a]Ru)(H)2	H(CC[6]SeH)	H(CC[6]SeH)	C(C[6]C[6]N[6])(SeC[6a]Ru)(H)2	H(CC[6]SeH)	H(CC[6]SeH)	107.9820	0.000	1	107.9820	0.000	1	107.7075	0.064	15	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SeCdC)(H)2	H(CC[6]SeH)	H(CC[6]SeH)	C(C[6]C[6]N[6])(SeCdC)(H)2	H(CC[6]SeH)	H(CC[6]SeH)	107.4880	0.182	4	107.4880	0.033	4	107.7075	0.064	15	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SeRuC)(H)2	H(CC[6]SeH)	H(CC[6]SeH)	C(C[6]C[6]N[6])(SeRuC)(H)2	H(CC[6]SeH)	H(CC[6]SeH)	107.6805	0.172	2	107.6805	0.030	2	107.7075	0.064	15	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6]-3:Si[4]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(Si[4]N[4]2)(H)2	H(CSi[4]C[6]H)	H(CSi[4]C[6]H)	C(C[6]C[6]N[6])(Si[4]N[4]2)(H)2	H(CSi[4]C[6]H)	H(CSi[4]C[6]H)	108.7540	0.000	1	108.7540	0.000	1	108.7540	0.000	1	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:As-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(AsCI)(H)2	H(CC[6a]AsH)	H(CC[6a]AsH)	C(C[6a]C[6a]2)(AsCI)(H)2	H(CC[6a]AsH)	H(CC[6a]AsH)	109.4675	0.064	2	109.4675	0.004	2	109.4882	0.004	11	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:As-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(AsCP)(H)2	H(CC[6a]AsH)	H(CC[6a]AsH)	C(C[6a]C[6a]2)(AsCP)(H)2	H(CC[6a]AsH)	H(CC[6a]AsH)	109.4820	0.074	3	109.4820	0.006	3	109.4882	0.004	11	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:As-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(AsC[6a]C)(H)2	H(CC[6a]AsH)	H(CC[6a]AsH)	C(C[6a]C[6a]2)(AsC[6a]C)(H)2	H(CC[6a]AsH)	H(CC[6a]AsH)	109.4890	0.082	4	109.4890	0.007	4	109.4882	0.004	11	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:As-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(AsClC)(H)2	H(CC[6a]AsH)	H(CC[6a]AsH)	C(C[6a]C[6a]2)(AsClC)(H)2	H(CC[6a]AsH)	H(CC[6a]AsH)	109.5165	0.049	2	109.5165	0.002	2	109.4882	0.004	11	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:B-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(BC[6a]N)(H)2	H(CC[6a]BH)	H(CC[6a]BH)	C(C[6a]C[6a]2)(BC[6a]N)(H)2	H(CC[6a]BH)	H(CC[6a]BH)	106.7810	0.000	1	106.7810	0.000	1	107.5142	1.213	5	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:B-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(BC[6a]N[5])(H)2	H(CC[6a]BH)	H(CC[6a]BH)	C(C[6a]C[6a]2)(BC[6a]N[5])(H)2	H(CC[6a]BH)	H(CC[6a]BH)	107.8020	1.990	2	107.8020	3.959	2	107.5142	1.213	5	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:B-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(BOsH)(H)2	H(CC[6a]BH)	H(CC[6a]BH)	C(C[6a]C[6a]2)(BOsH)(H)2	H(CC[6a]BH)	H(CC[6a]BH)	107.5930	0.423	2	107.5930	0.179	2	107.5142	1.213	5	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6,6a]C[6a])(CCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5,6,6a]C[6a])(CCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7380	0.143	2	107.7380	0.020	2	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CCC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CCC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9510	0.000	1	107.9510	0.000	1	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.0487	0.181	3	108.0487	0.033	3	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CC[6a]N)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CC[6a]N)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.1920	0.000	1	108.1920	0.000	1	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CNO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CNO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9870	0.000	1	107.9870	0.000	1	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(COO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(COO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4940	0.000	1	107.4940	0.000	1	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	106.3630	2.574	2	106.3630	6.625	2	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.6705	1.611	2	108.6705	2.597	2	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6450	0.000	1	107.6450	0.000	1	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(COO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(COO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8130	0.000	1	107.8130	0.000	1	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9457	0.139	9	107.9457	0.019	9	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(COO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(COO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9193	0.183	3	107.9193	0.034	3	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6,6a])(CCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6,6a])(CCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8027	0.053	3	107.8027	0.003	3	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CBrC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CBrC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	109.0640	0.000	1	109.0640	0.000	1	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7046	0.888	20	107.7046	0.789	20	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6a]N)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]N)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5250	0.000	1	107.5250	0.000	1	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CNO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CNO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8796	0.288	11	107.8796	0.083	11	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(COO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(COO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6159	0.131	28	107.6159	0.017	28	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(CCN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]N[6a])(CCN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8090	0.000	1	107.8090	0.000	1	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.1949	2.704	54	107.1949	7.314	54	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7171	0.677	128	107.7171	0.458	128	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7352	0.441	32	107.7352	0.195	32	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6315	2.522	64	107.6315	6.360	64	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[3]O)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[3]O)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8810	0.061	2	107.8810	0.004	2	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]2)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]2)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.3803	0.043	3	107.3803	0.002	3	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]C)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]C)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8475	0.146	2	107.8475	0.021	2	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]C[6])(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]C[6])(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.3805	0.117	2	107.3805	0.014	2	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]H)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]H)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7620	0.000	1	107.7620	0.000	1	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]N)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]N)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7980	0.061	2	107.7980	0.004	2	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]O)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]O)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	106.0577	2.619	3	106.0577	6.860	3	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]C)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]C)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8993	0.238	3	107.8993	0.057	3	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]O)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]O)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.5401	0.701	8	108.5401	0.492	8	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]C)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]C)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5238	0.174	9	107.5238	0.030	9	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]H)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]H)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6770	0.273	2	107.6770	0.074	2	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]O)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]O)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	106.4263	2.198	3	106.4263	4.830	3	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]C)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]C)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5783	0.190	3	107.5783	0.036	3	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]C[5])(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]C[5])(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.3827	0.198	3	107.3827	0.039	3	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]N)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]N)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8134	0.402	7	107.8134	0.162	7	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5683	0.223	34	107.5683	0.050	34	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]Os)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]Os)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5650	0.000	1	107.5650	0.000	1	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CClC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CClC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	109.4530	0.000	1	109.4530	0.000	1	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.8893	1.501	3	108.8893	2.252	3	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CHN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	106.7467	3.578	10	106.7467	12.801	10	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CHO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5900	0.000	1	107.5900	0.000	1	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CHfN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHfN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5230	0.021	2	107.5230	0.000	2	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CIrO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CIrO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	106.4007	0.849	3	106.4007	0.720	3	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CMo2)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CMo2)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6040	0.000	1	107.6040	0.000	1	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CNN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9947	0.495	12	107.9947	0.245	12	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9633	0.586	133	107.9633	0.344	133	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CNS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5943	0.116	6	107.5943	0.013	6	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]N)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]N)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7930	0.000	1	107.7930	0.000	1	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]O)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]O)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.0004	0.251	7	108.0004	0.063	7	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]O)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5a]O)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9950	0.133	2	107.9950	0.018	2	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CN[6,6]O)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6,6]O)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7890	0.085	2	107.7890	0.007	2	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]N)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]N)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5105	0.091	2	107.5105	0.008	2	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]O)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]O)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7887	0.253	9	107.7887	0.064	9	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]S)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]S)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.3720	0.000	1	107.3720	0.000	1	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CNiN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNiN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5305	0.252	2	107.5305	0.064	2	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CNiO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNiO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.3920	0.000	1	107.3920	0.000	1	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8523	0.909	253	107.8523	0.826	253	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(COS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5830	0.000	1	107.5830	0.000	1	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(COW)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COW)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7670	0.000	1	107.7670	0.000	1	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(COsO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COsO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.1420	0.000	1	108.1420	0.000	1	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CRuH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CRuH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.0560	0.000	1	108.0560	0.000	1	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CRuN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CRuN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5883	0.404	4	107.5883	0.164	4	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CRuO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CRuO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	106.1660	1.995	2	106.1660	3.982	2	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CSS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CSS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9730	0.000	1	107.9730	0.000	1	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CSiC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CSiC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5750	0.000	1	107.5750	0.000	1	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CTaN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CTaN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	112.4750	0.000	1	112.4750	0.000	1	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CZrN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CZrN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7920	0.159	7	107.7920	0.025	7	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9275	0.067	2	107.9275	0.005	2	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6]N)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6]N)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.0683	0.198	3	108.0683	0.039	3	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6320	0.050	3	107.6320	0.002	3	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]O)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]O)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5620	0.000	1	107.5620	0.000	1	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CNO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CNO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.2525	0.276	2	108.2525	0.076	2	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(COO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(COO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8558	0.134	5	107.8558	0.018	5	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(CNO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]N[5a,6a]C[6a])(CNO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6280	0.041	2	107.6280	0.002	2	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(COO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]N[5a,6a]C[6a])(COO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9220	0.081	2	107.9220	0.006	2	107.7470	1.478	950	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(C[5]C[5]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]2)(C[5]C[5]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.9315	0.090	2	107.9315	0.008	2	107.6343	0.220	57	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.5790	0.000	1	107.5790	0.000	1	107.6343	0.220	57	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]N[5]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]C[6a])(C[5]N[5]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.6650	0.000	1	107.6650	0.000	1	107.6343	0.220	57	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.6300	0.505	37	107.6300	0.255	37	107.6343	0.220	57	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.6086	0.440	16	107.6086	0.194	16	107.6343	0.220	57	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	108.0200	0.000	1	108.0200	0.000	1	107.6262	0.047	6	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	107.4840	0.000	1	107.4840	0.000	1	107.6262	0.047	6	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	107.5140	0.000	1	107.5140	0.000	1	107.6262	0.047	6	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a,6]N[5a])(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a,6]N[5a])(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	107.7240	0.000	1	107.7240	0.000	1	107.6262	0.047	6	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	107.5670	0.000	1	107.5670	0.000	1	107.6262	0.047	6	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[5a]C[5a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[5a]C[5a]2)(H)2	H(CC[5a]C[6a]H)	H(CC[5a]C[6a]H)	107.4480	0.000	1	107.4480	0.000	1	107.6262	0.047	6	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	109.4570	0.000	1	109.4570	0.000	1	107.8225	1.727	163	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.4373	0.315	3	107.4373	0.099	3	107.8225	1.727	163	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.8147	1.352	152	107.8147	1.827	152	107.8225	1.727	163	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[6]O[6]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]O[6]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	108.1213	0.350	3	108.1213	0.122	3	107.8225	1.727	163	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.7760	0.134	4	107.7760	0.018	4	107.8225	1.727	163	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]2H)	H(CC[6a]2H)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]2H)	H(CC[6a]2H)	107.4932	1.505	5	107.4932	2.264	5	107.7115	0.953	1655	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]N[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]2H)	H(CC[6a]2H)	C(C[6a]C[5,6a]N[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]2H)	H(CC[6a]2H)	107.5055	0.118	2	107.5055	0.014	2	107.7115	0.953	1655	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]2H)	H(CC[6a]2H)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]2H)	H(CC[6a]2H)	107.6900	0.231	5	107.6900	0.053	5	107.7115	0.953	1655	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]2H)	H(CC[6a]2H)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]2H)	H(CC[6a]2H)	106.8806	0.966	5	106.8806	0.932	5	107.7115	0.953	1655	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]2H)	H(CC[6a]2H)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]2H)	H(CC[6a]2H)	108.1745	0.023	2	108.1745	0.001	2	107.7115	0.953	1655	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])2(H)2	H(CC[6a]2H)	H(CC[6a]2H)	C(C[6a]C[6,6a]C[6a])2(H)2	H(CC[6a]2H)	H(CC[6a]2H)	107.9420	0.000	1	107.9420	0.000	1	107.7115	0.953	1655	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)2	H(CC[6a]2H)	H(CC[6a]2H)	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)2	H(CC[6a]2H)	H(CC[6a]2H)	107.6893	0.230	3	107.6893	0.053	3	107.7115	0.953	1655	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(H)2	H(CC[6a]2H)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(H)2	H(CC[6a]2H)	H(CC[6a]2H)	107.5120	0.508	2	107.5120	0.258	2	107.7115	0.953	1655	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]2)(H)2	H(CC[6a]2H)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]2)(H)2	H(CC[6a]2H)	H(CC[6a]2H)	107.1320	0.000	1	107.1320	0.000	1	107.7115	0.953	1655	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]2H)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]2H)	H(CC[6a]2H)	107.6044	0.439	22	107.6044	0.193	22	107.7115	0.953	1655	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	H(CC[6a]2H)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	H(CC[6a]2H)	H(CC[6a]2H)	105.1785	3.788	2	105.1785	14.349	2	107.7115	0.953	1655	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])2(H)2	H(CC[6a]2H)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])2(H)2	H(CC[6a]2H)	H(CC[6a]2H)	107.0401	1.863	69	107.0401	3.471	69	107.7115	0.953	1655	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]2H)	H(CC[6a]2H)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]2H)	H(CC[6a]2H)	107.7035	0.088	2	107.7035	0.008	2	107.7115	0.953	1655	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[6a]N[6a]2)(H)2	H(CC[6a]2H)	H(CC[6a]2H)	C(C[6a]C[6a]2)(C[6a]N[6a]2)(H)2	H(CC[6a]2H)	H(CC[6a]2H)	107.7378	0.236	8	107.7378	0.056	8	107.7115	0.953	1655	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	H(CC[6a]2H)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	H(CC[6a]2H)	H(CC[6a]2H)	107.7607	0.884	1478	107.7607	0.781	1478	107.7115	0.953	1655	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]2H)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]2H)	H(CC[6a]2H)	107.5088	1.146	33	107.5088	1.314	33	107.7115	0.953	1655	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])2(H)2	H(CC[6a]2H)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])2(H)2	H(CC[6a]2H)	H(CC[6a]2H)	105.8998	3.882	4	105.8998	15.073	4	107.7115	0.953	1655	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]2H)	H(CC[6a]2H)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]2H)	H(CC[6a]2H)	107.7528	0.139	11	107.7528	0.019	11	107.7115	0.953	1655	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(NCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[5,6a]C[6a])(NCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5435	0.198	6	107.5435	0.039	6	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(NCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[5,6a]C[6a])(NCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8910	0.000	1	107.8910	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(NCN)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[5,6a]C[6a])(NCN)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.4480	0.091	5	107.4480	0.008	5	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(NC[6a]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[5,6a]C[6a])(NC[6a]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0920	0.000	1	108.0920	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(NCS)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[5a,6a]C[6a])(NCS)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5870	0.245	4	107.5870	0.060	4	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(NCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6,6a]C[6a])(NCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0675	0.219	4	108.0675	0.048	4	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(NCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5549	0.680	21	107.5549	0.463	21	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(NCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8563	0.276	19	107.8563	0.076	19	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(NC[3x6]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NC[3x6]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9520	0.000	1	107.9520	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(NC[4a]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NC[4a]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9230	0.233	4	107.9230	0.054	4	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(NC[5]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NC[5]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.3100	0.000	1	107.3100	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(NC[6a]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NC[6a]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8920	0.000	1	107.8920	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(NC[6a]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NC[6a]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.1920	0.128	3	108.1920	0.016	3	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(NMgC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NMgC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6335	0.050	2	107.6335	0.003	2	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(NZnC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NZnC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.1933	0.472	6	107.1933	0.223	6	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6,6a])(NCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6,6a])(NCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	109.6800	0.000	1	109.6800	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5061	0.786	17	107.5061	0.618	17	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7416	0.289	18	107.7416	0.083	18	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[5]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC[5]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.3310	0.000	1	107.3310	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[5]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC[5]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5645	0.101	2	107.5645	0.010	2	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC[6]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	109.6210	0.000	1	109.6210	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.1260	0.085	2	108.1260	0.007	2	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6a]2)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC[6a]2)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7790	0.000	1	107.7790	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7180	0.000	1	107.7180	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.4250	0.000	1	107.4250	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NMoC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NMoC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0300	0.000	1	108.0300	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NOO)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NOO)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6350	0.000	1	107.6350	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NPdC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NPdC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5360	0.085	2	107.5360	0.007	2	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NSS)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NSS)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.4380	0.336	3	107.4380	0.113	3	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(NCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]N[6a])(NCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8726	1.058	16	107.8726	1.120	16	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NAgC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAgC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8740	0.000	1	107.8740	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NAlC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAlC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8178	0.365	19	107.8178	0.133	19	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NAlSi)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAlSi)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5805	0.138	2	107.5805	0.019	2	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NBC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NBC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6719	0.223	7	107.6719	0.050	7	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8858	1.096	1085	107.8858	1.202	1085	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9050	1.036	590	107.9050	1.073	590	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCN)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCN)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6040	0.692	40	107.6040	0.479	40	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCO)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCO)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.5046	1.200	25	108.5046	1.439	25	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCP)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCP)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6666	1.212	58	107.6666	1.468	58	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCS)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCS)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7935	0.889	98	107.7935	0.790	98	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCW)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCW)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6740	0.000	1	107.6740	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[3]S)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[3]S)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.5035	1.129	2	108.5035	1.275	2	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[3x4]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[3x4]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7230	0.089	2	107.7230	0.008	2	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[3x6]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[3x6]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.3820	0.000	1	108.3820	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[4]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[4]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9160	0.211	4	107.9160	0.045	4	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[4]S)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[4]S)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8760	0.146	5	107.8760	0.021	5	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[4a]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[4a]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7175	0.077	2	107.7175	0.006	2	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[4a]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[4a]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7994	0.190	10	107.7994	0.036	10	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[5,6]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5,6]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.4390	0.000	1	107.4390	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[5,6]S)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5,6]S)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9977	0.287	3	107.9977	0.082	3	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.1432	1.598	44	108.1432	2.553	44	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]Cu)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]Cu)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0918	0.205	4	108.0918	0.042	4	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8234	0.239	21	107.8234	0.057	21	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]O)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]O)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0625	0.083	4	108.0625	0.007	4	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]S)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]S)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8472	0.187	5	107.8472	0.035	5	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[5a]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8208	0.166	20	107.8208	0.028	20	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[5a]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9332	0.593	19	107.9332	0.351	19	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[5a]S)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5a]S)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0006	0.093	7	108.0006	0.009	7	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]2)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]2)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0389	0.226	7	108.0389	0.051	7	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]Al)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]Al)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7850	0.314	2	107.7850	0.099	2	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]B)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]B)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6930	0.218	2	107.6930	0.047	2	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.3464	1.575	86	108.3464	2.482	86	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7514	0.928	61	107.7514	0.861	61	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]Mo)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]Mo)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8570	0.000	1	107.8570	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]O)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]O)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0420	0.000	1	108.0420	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]Ru)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]Ru)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5495	0.143	4	107.5495	0.021	4	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]S)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]S)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8691	0.320	9	107.8691	0.102	9	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]Ti)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]Ti)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.4890	0.007	2	107.4890	0.000	2	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]2)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6074	0.152	21	107.6074	0.023	21	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]Al)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]Al)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5055	0.100	4	107.5055	0.010	4	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7266	0.752	199	107.7266	0.565	199	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]Co)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]Co)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0355	0.114	2	108.0355	0.013	2	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]Cr)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]Cr)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5900	0.000	1	107.5900	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7608	0.609	254	107.7608	0.371	254	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]Mo)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]Mo)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.1910	0.000	1	107.1910	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]N)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]N)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.4598	0.144	6	107.4598	0.021	6	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]Ni)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]Ni)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6175	0.064	2	107.6175	0.004	2	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]P)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]P)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7450	0.000	1	107.7450	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]S)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0769	1.314	19	108.0769	1.727	19	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]Si)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]Si)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5050	0.000	1	107.5050	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]Sn)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]Sn)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8785	0.258	2	107.8785	0.067	2	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]W)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]W)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0610	0.000	1	108.0610	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]Zn)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]Zn)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0102	0.219	9	108.0102	0.048	9	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCoC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7128	0.263	40	107.7128	0.069	40	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCoN)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoN)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7060	0.000	1	107.7060	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCrC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCrC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8350	0.337	4	107.8350	0.113	4	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCuC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9695	1.478	59	107.9695	2.185	59	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NFeC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.3807	1.413	19	107.3807	1.996	19	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NFeH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.2940	0.000	1	107.2940	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.4340	0.247	11	107.4340	0.061	11	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NHN)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NHN)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7320	0.379	3	107.7320	0.144	3	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NHP)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NHP)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.4568	0.933	29	107.4568	0.870	29	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NHS)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NHS)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9704	0.426	26	107.9704	0.181	26	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NHgC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NHgC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9890	0.000	2	107.9890	0.000	2	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NLiC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NLiC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8474	0.146	5	107.8474	0.021	5	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NMgC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMgC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	106.9155	1.283	17	106.9155	1.647	17	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NMoC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMoC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	104.9250	2.834	4	104.9250	8.032	4	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NN[5a]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NN[5a]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9570	0.000	1	107.9570	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NN[5a]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NN[5a]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.1000	0.160	7	108.1000	0.026	7	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NN[6]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NN[6]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5370	0.000	1	107.5370	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NN[6]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NN[6]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.2560	0.000	1	108.2560	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NN[6a]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NN[6a]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0680	0.000	1	108.0680	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NNiC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8757	0.437	39	107.8757	0.191	39	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NNiP)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiP)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.4227	0.353	7	108.4227	0.124	7	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NOO)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NOO)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8965	0.026	2	107.8965	0.001	2	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NOsC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NOsC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6040	0.000	1	107.6040	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NPP)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPP)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5576	0.197	9	107.5576	0.039	9	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NPS)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPS)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.3735	0.076	4	107.3735	0.006	4	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NP[5]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NP[5]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6520	0.000	1	107.6520	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NP[6]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NP[6]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.1155	0.722	11	108.1155	0.521	11	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NP[6]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NP[6]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	106.6723	1.104	3	106.6723	1.220	3	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NPdC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8763	0.439	37	107.8763	0.193	37	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NPdH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8480	0.000	1	107.8480	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NPdP)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdP)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.4390	0.090	3	108.4390	0.008	3	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NPdS)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdS)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6260	0.000	1	107.6260	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NPtC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPtC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9443	0.476	28	107.9443	0.227	28	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NReC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NReC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9150	0.000	1	107.9150	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NReN)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NReN)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0200	0.048	2	108.0200	0.002	2	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NRhC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRhC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6890	0.399	5	107.6890	0.159	5	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NRuC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRuC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6315	0.213	4	107.6315	0.045	4	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NRuN)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRuN)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.3970	0.361	2	107.3970	0.130	2	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NSS)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSS)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7267	0.144	6	107.7267	0.021	6	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NSb2)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSb2)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.3697	0.125	3	107.3697	0.016	3	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NSi[5]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSi[5]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.2380	0.000	1	107.2380	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NSnC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSnC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9404	0.243	16	107.9404	0.059	16	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NTiC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NTiC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.4280	0.000	1	107.4280	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NTiP)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NTiP)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6815	0.170	4	107.6815	0.029	4	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NZnC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9684	0.382	21	107.9684	0.146	21	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NZrC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZrC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9575	0.008	2	107.9575	0.000	2	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NZrP)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZrP)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6432	0.122	4	107.6432	0.015	4	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8252	1.915	153	107.8252	3.666	153	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8556	0.927	79	107.8556	0.860	79	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCP)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCP)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6458	0.154	8	107.6458	0.024	8	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCS)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCS)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9137	0.250	7	107.9137	0.063	7	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[4a]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[4a]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8254	0.079	5	107.8254	0.006	5	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[4a]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[4a]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8980	0.373	2	107.8980	0.139	2	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[5]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[5]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8127	0.412	3	107.8127	0.169	3	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[5a]C[6a])(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[5a]C[6a])(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.4950	0.000	1	107.4950	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[5a]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[5a]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8170	0.392	2	107.8170	0.153	2	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[5a]Ir)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[5a]Ir)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.3760	0.000	1	107.3760	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7995	1.039	13	107.7995	1.080	13	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.1902	0.075	5	108.1902	0.006	5	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6a]2)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6a]2)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5720	0.000	1	107.5720	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6042	0.398	41	107.6042	0.159	41	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C[6])(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6a]C[6])(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.4810	0.195	2	107.4810	0.038	2	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6729	0.460	31	107.6729	0.212	31	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCoC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCoC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6685	0.203	2	107.6685	0.041	2	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCuC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCuC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	109.2317	4.142	6	109.2317	17.156	6	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NHS)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NHS)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0103	1.570	7	108.0103	2.465	7	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NIrC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NIrC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0680	0.000	1	108.0680	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NNiC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NNiC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7690	0.000	1	107.7690	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NPP)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NPP)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.2560	0.000	1	107.2560	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NReC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NReC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.1250	0.000	1	108.1250	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NRhC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NRhC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5745	0.012	2	107.5745	0.000	2	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]O[6a])(NCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]O[6a])(NCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7590	0.898	3	107.7590	0.807	3	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]N[6a]2)(NC[5]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]N[6a]2)(NC[5]H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	110.6260	0.000	1	110.6260	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]N[6a]2)(NHS)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]N[6a]2)(NHS)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.4270	0.000	1	107.4270	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(C[6a]N[6a]2)(NOO)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]N[6a]2)(NOO)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.2550	0.000	1	108.2550	0.000	1	107.8463	1.071	3757	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[3]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(N[3]C[3]2)(H)2	H(CC[6a]N[3]H)	H(CC[6a]N[3]H)	C(C[6a]C[6a]2)(N[3]C[3]2)(H)2	H(CC[6a]N[3]H)	H(CC[6a]N[3]H)	107.0738	2.077	5	107.0738	4.315	5	107.0738	4.315	5	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[4]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	H(CC[6a]N[4]H)	H(CC[6a]N[4]H)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	H(CC[6a]N[4]H)	H(CC[6a]N[4]H)	107.8811	0.564	18	107.8811	0.318	18	107.8811	0.318	18	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]2)(N[5]C[5]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(C[6a]C[5,6a]2)(N[5]C[5]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.9370	0.000	1	107.9370	0.000	1	107.9427	0.607	1433	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(N[5]C[5]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(C[6a]C[6,6a]C[6a])(N[5]C[5]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.7915	0.228	2	107.7915	0.052	2	107.9427	0.607	1433	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.6511	0.776	12	107.6511	0.603	12	107.9427	0.607	1433	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(N[5]C[5]N[5])(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]2)(N[5]C[5]N[5])(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	102.5590	0.000	1	102.5590	0.000	1	107.9427	0.607	1433	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.7080	0.000	1	107.7080	0.000	1	107.9427	0.607	1433	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.7939	0.180	10	107.7939	0.033	10	107.9427	0.607	1433	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.8579	0.362	32	107.8579	0.131	32	107.9427	0.607	1433	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]N[5])(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]N[5])(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.6007	0.168	3	107.6007	0.028	3	107.9427	0.607	1433	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5,5]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5,5]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.9220	0.057	2	107.9220	0.003	2	107.9427	0.607	1433	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5,6]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5,6]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.7295	0.170	2	107.7295	0.029	2	107.9427	0.607	1433	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.9478	0.769	1302	107.9478	0.592	1302	107.9427	0.607	1433	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.8343	0.146	9	107.8343	0.021	9	107.9427	0.607	1433	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	108.1169	1.011	55	108.1169	1.022	55	107.9427	0.607	1433	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]N[5])(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]N[5])(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.7810	0.000	1	107.7810	0.000	1	107.9427	0.607	1433	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[4,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(C[6a]C[4,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	107.7250	0.148	4	107.7250	0.022	4	107.9846	2.137	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	107.5330	0.014	2	107.5330	0.000	2	107.9846	2.137	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	107.8912	2.086	6	107.8912	4.353	6	107.9846	2.137	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	107.6734	0.130	5	107.6734	0.017	5	107.9846	2.137	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	107.9928	1.570	176	107.9928	2.466	176	107.9846	2.137	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	108.3358	1.672	12	108.3358	2.797	12	107.9846	2.137	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]B[5a]C[5a])(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]B[5a]C[5a])(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	107.6720	0.000	1	107.6720	0.000	1	107.9846	2.137	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	107.5163	0.098	3	107.5163	0.010	3	107.9846	2.137	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	107.7642	0.155	15	107.7642	0.024	15	107.9846	2.137	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	108.2283	1.286	15	108.2283	1.655	15	107.9846	2.137	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]S[5a])(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]S[5a])(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	107.9480	0.000	1	107.9480	0.000	1	107.9846	2.137	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]N[6a]2)(N[5a]C[5a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(C[6a]N[6a]2)(N[5a]C[5a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	107.7970	0.000	1	107.7970	0.000	1	107.9846	2.137	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(C[6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.7950	0.000	1	107.7950	0.000	1	107.8734	3.176	948	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(N[6]C[6]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(C[6a]C[6a,6a]2)(N[6]C[6]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	108.4452	0.481	5	108.4452	0.232	5	107.8734	3.176	948	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[5,6]C[6,6])(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(C[6a]C[6a,6a]C[6a])(N[6]C[5,6]C[6,6])(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.5470	0.000	1	107.5470	0.000	1	107.8734	3.176	948	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.7484	0.103	7	107.7484	0.011	7	107.8734	3.176	948	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[5,6]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[5,6]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.9140	0.000	1	107.9140	0.000	1	107.8734	3.176	948	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6,6]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6,6]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.7740	0.000	1	107.7740	0.000	1	107.8734	3.176	948	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.8737	1.821	906	107.8737	3.315	906	107.8734	3.176	948	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.9043	0.147	3	107.9043	0.021	3	107.8734	3.176	948	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.8076	0.452	21	107.8076	0.204	21	107.8734	3.176	948	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]O[6a])(N[6]C[6]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(C[6a]C[6a]O[6a])(N[6]C[6]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.6160	0.437	2	107.6160	0.191	2	107.8734	3.176	948	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:N[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	H(CC[6a]N[6a]H)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	H(CC[6a]N[6a]H)	H(CC[6a]N[6a]H)	107.9558	1.066	100	107.9558	1.137	100	107.9558	1.137	100	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(OAl2)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]2)(OAl2)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.9365	0.077	2	107.9365	0.006	2	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OAl2)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OAl2)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.6576	1.225	8	107.6576	1.500	8	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OBiC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OBiC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.4698	0.546	5	108.4698	0.298	5	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OCo2)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OCo2)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.6370	0.083	2	107.6370	0.007	2	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OCoC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OCoC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.8840	0.000	1	107.8840	0.000	1	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OCoH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OCoH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.2717	0.156	3	108.2717	0.024	3	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OCrC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OCrC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.0270	0.317	6	108.0270	0.101	6	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OCrH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OCrH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.2340	0.229	2	108.2340	0.052	2	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OCuC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OCuC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.8770	0.152	3	107.8770	0.023	3	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OFe2)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OFe2)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	109.4300	0.000	1	109.4300	0.000	1	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OFeH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OFeH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.1460	0.000	1	108.1460	0.000	1	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OIrC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OIrC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.5110	0.000	1	108.5110	0.000	1	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OLiC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OLiC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.8590	0.265	4	107.8590	0.070	4	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OLiH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OLiH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.6180	0.000	1	107.6180	0.000	1	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OMg2)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OMg2)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.6450	0.172	8	107.6450	0.030	8	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OMnH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OMnH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.2750	0.000	1	108.2750	0.000	1	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OMnNi)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OMnNi)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.9280	0.000	1	107.9280	0.000	1	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OPdC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OPdC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.3743	0.126	3	108.3743	0.016	3	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OPdH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OPdH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.7710	0.000	1	108.7710	0.000	1	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(ORe2)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ORe2)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.9862	0.366	4	107.9862	0.134	4	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(ORhC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ORhC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	110.4010	0.000	1	110.4010	0.000	1	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(ORu2)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ORu2)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.4690	0.000	1	108.4690	0.000	1	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(ORuH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ORuH)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.9260	0.000	1	107.9260	0.000	1	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OSbC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OSbC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.3448	0.075	8	108.3448	0.006	8	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OSnC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OSnC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.3257	0.149	3	108.3257	0.022	3	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OWW)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OWW)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.7573	0.105	3	107.7573	0.011	3	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OZn2)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OZn2)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	106.5764	3.879	18	106.5764	15.050	18	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OZnC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OZnC)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	108.0270	0.416	2	108.0270	0.173	2	107.7926	3.367	95	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O[4]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(O[4]Ga[4]2)(H)2	H(CC[6a]O[4]H)	H(CC[6a]O[4]H)	C(C[6a]C[6a]2)(O[4]Ga[4]2)(H)2	H(CC[6a]O[4]H)	H(CC[6a]O[4]H)	108.1080	0.000	1	108.1080	0.000	1	108.1080	0.000	1	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:O[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(O[5]B[5]2)(H)2	H(CC[6a]O[5]H)	H(CC[6a]O[5]H)	C(C[6a]C[6a]2)(O[5]B[5]2)(H)2	H(CC[6a]O[5]H)	H(CC[6a]O[5]H)	107.1170	0.000	1	107.1170	0.000	1	107.1170	0.000	1	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:P-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(PCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[5a,6a]C[6a])(PCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.7520	0.000	1	108.7520	0.000	1	107.8930	0.211	39	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:P-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(PC[6a]2)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[5a,6a]C[6a])(PC[6a]2)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.8642	0.163	4	107.8642	0.027	4	107.8930	0.211	39	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:P-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.4185	0.009	2	107.4185	0.000	2	107.8930	0.211	39	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:P-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6a]H)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PC[6a]H)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.3605	0.029	2	107.3605	0.001	2	107.8930	0.211	39	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:P-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.8631	0.455	14	107.8631	0.207	14	107.8930	0.211	39	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:P-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.8340	0.364	9	107.8340	0.133	9	107.8930	0.211	39	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:P-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]C)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]C)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.0090	0.328	3	108.0090	0.108	3	107.8930	0.211	39	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:P-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]Cu)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]Cu)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	109.3030	0.000	1	109.3030	0.000	1	107.8930	0.211	39	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:P-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(PCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.1250	0.091	2	108.1250	0.008	2	107.8930	0.211	39	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:P-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]C)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]C)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.8900	0.000	1	107.8900	0.000	1	107.8930	0.211	39	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:P[4]-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(P[4]C[4]2)(H)2	H(CC[6a]P[4]H)	H(CC[6a]P[4]H)	C(C[6a]C[6a]2)(P[4]C[4]2)(H)2	H(CC[6a]P[4]H)	H(CC[6a]P[4]H)	107.9240	0.232	2	107.9240	0.054	2	107.9240	0.054	2	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(SCuC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[5a,6a]C[6a])(SCuC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.9980	0.330	2	107.9980	0.109	2	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(SC[6a]Cu)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6,6a]C[6a])(SC[6a]Cu)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.6980	0.426	2	107.6980	0.181	2	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(SRuC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6,6a]C[6a])(SRuC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.0645	0.008	2	108.0645	0.000	2	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(SFe2)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a,6a]2)(SFe2)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.0907	0.368	4	108.0907	0.135	4	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SAgC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SAgC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.8630	0.225	7	107.8630	0.051	7	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SAlC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SAlC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.9184	0.532	5	107.9184	0.283	5	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SBiC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SBiC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.8500	0.243	24	107.8500	0.059	24	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SCC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.0820	0.339	2	108.0820	0.115	2	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SCH)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCH)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.6210	0.000	1	107.6210	0.000	1	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SCO)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCO)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.1072	1.495	34	108.1072	2.235	34	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SC[6]O)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6]O)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	103.6380	0.000	1	103.6380	0.000	1	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]Al)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]Al)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.2215	0.559	2	108.2215	0.313	2	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]Ir)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]Ir)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.8620	0.227	3	107.8620	0.052	3	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]N)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]N)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.0691	0.086	14	108.0691	0.007	14	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]O)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]O)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.0929	0.441	10	108.0929	0.194	10	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]Pd)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]Pd)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.8689	0.401	9	107.8689	0.161	9	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]Re)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]Re)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.9800	0.062	2	107.9800	0.004	2	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]Rh)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]Rh)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.7090	0.436	2	107.7090	0.190	2	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]Zr)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]Zr)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.4863	0.014	3	107.4863	0.000	3	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SCoC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCoC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.9055	0.487	2	107.9055	0.237	2	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SCrC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCrC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.7390	0.397	2	107.7390	0.158	2	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SCuC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCuC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.7984	0.327	24	107.7984	0.107	24	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SFe2)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SFe2)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.7998	0.219	5	107.7998	0.048	5	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SFeC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SFeC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.7020	0.000	2	107.7020	0.000	2	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SGaC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SGaC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.7105	0.066	2	107.7105	0.004	2	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SHgC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SHgC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.7642	0.220	5	107.7642	0.048	5	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SInC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SInC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.9070	0.000	1	107.9070	0.000	1	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SIn[4]C)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SIn[4]C)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.5010	0.000	1	107.5010	0.000	1	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SIrC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SIrC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.7590	2.416	8	108.7590	5.837	8	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SMn2)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SMn2)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.4250	0.000	1	107.4250	0.000	1	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SMnC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SMnC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.8305	0.425	2	107.8305	0.181	2	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SMo2)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SMo2)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.9843	0.102	8	107.9843	0.010	8	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SNO)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SNO)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.7193	0.109	3	107.7193	0.012	3	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SNbC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SNbC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.0363	0.248	3	108.0363	0.062	3	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SNiC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SNiC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.9874	0.441	11	107.9874	0.195	11	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SPd2)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SPd2)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.1625	0.093	2	108.1625	0.009	2	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SPdC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SPdC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.0591	0.394	33	108.0591	0.156	33	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SPt2)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SPt2)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.0250	0.177	3	108.0250	0.031	3	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SPtC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SPtC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.9563	0.223	22	107.9563	0.050	22	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SRe2)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SRe2)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.0412	0.308	9	108.0412	0.095	9	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SRhC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SRhC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.9106	0.333	5	107.9106	0.111	5	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SRu2)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SRu2)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.1047	0.226	4	108.1047	0.051	4	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SRuC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SRuC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.8185	0.341	6	107.8185	0.116	6	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SSbC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SSbC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.1790	0.343	4	108.1790	0.118	4	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(STaC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(STaC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.9995	0.276	2	107.9995	0.076	2	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(STeC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(STeC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.4090	0.000	1	108.4090	0.000	1	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(STi2)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(STi2)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.8473	0.087	3	107.8473	0.008	3	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(STiC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(STiC)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.5700	0.004	2	107.5700	0.000	2	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SWW)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SWW)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.5980	0.000	1	107.5980	0.000	1	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SYb2)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SYb2)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.9940	0.346	3	107.9940	0.120	3	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC[5a]O)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC[5a]O)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	109.4894	2.074	5	109.4894	4.303	5	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(SFe2)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SFe2)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.7851	0.876	9	107.7851	0.767	9	107.9776	0.627	323	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(SePdC)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	C(C[6a]C[6a,6a]C[6a])(SePdC)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	105.1462	10.694	2	105.1462	114.363	2	107.7938	3.955	35	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SeBiC)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeBiC)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	108.0100	0.000	1	108.0100	0.000	1	107.7938	3.955	35	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SeBrC)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeBrC)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	107.9210	0.000	1	107.9210	0.000	1	107.7938	3.955	35	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SeCC)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeCC)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	107.8670	0.511	2	107.8670	0.261	2	107.7938	3.955	35	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SeC[6a]Ir)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC[6a]Ir)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	107.8955	0.540	2	107.8955	0.291	2	107.7938	3.955	35	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SeC[6a]O)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC[6a]O)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	108.2620	0.000	1	108.2620	0.000	1	107.7938	3.955	35	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SeC[6a]Pd)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC[6a]Pd)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	107.8007	0.207	6	107.8007	0.043	6	107.7938	3.955	35	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SeC[6a]Rh)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC[6a]Rh)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	107.8950	0.365	2	107.8950	0.133	2	107.7938	3.955	35	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SeC[6a]Ru)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC[6a]Ru)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	107.8385	0.969	2	107.8385	0.940	2	107.7938	3.955	35	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SeCuIn)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeCuIn)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	107.7750	0.000	1	107.7750	0.000	1	107.7938	3.955	35	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SePdC)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SePdC)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	107.8975	0.245	2	107.8975	0.060	2	107.7938	3.955	35	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SePtC)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SePtC)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	109.4520	0.000	1	109.4520	0.000	1	107.7938	3.955	35	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SeRe2)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeRe2)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	107.9383	0.228	7	107.9383	0.052	7	107.7938	3.955	35	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SeRhC)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeRhC)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	107.9322	0.363	4	107.9322	0.132	4	107.7938	3.955	35	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	C[6a]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SeRu2)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeRu2)(H)2	H(CC[6a]SeH)	H(CC[6a]SeH)	108.1810	0.000	1	108.1810	0.000	1	107.7938	3.955	35	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	In-3:C-3:H-1:H-1:	C-4:	C-4:	C(InCC)(CCC)(H)2	H(CInCH)	H(CInCH)	C(InCC)(CCC)(H)2	H(CInCH)	H(CInCH)	112.1040	1.227	6	112.1040	1.506	6	110.4198	4.081	12	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	In-3:C-3:H-1:H-1:	C-4:	C-4:	C(InCC)(CCH)(H)2	H(CInCH)	H(CInCH)	C(InCC)(CCH)(H)2	H(CInCH)	H(CInCH)	108.7357	0.816	6	108.7357	0.665	6	110.4198	4.081	12	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:B-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(BC[6]N)(H)2	H(CBHN)	H(CBHN)	C(NC[6a]C)(BC[6]N)(H)2	H(CBHN)	H(CBHN)	106.3400	0.000	1	106.3400	0.000	1	106.4887	0.019	3	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:B-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(BHN)(H)2	H(CBHN)	H(CBHN)	C(NC[6a]C)(BHN)(H)2	H(CBHN)	H(CBHN)	106.5630	0.069	2	106.5630	0.005	2	106.4887	0.019	3	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[3x6]C[6a])(CCH)(H)2	H(CCHN)	H(CCHN)	C(NC[3x6]C[6a])(CCH)(H)2	H(CCHN)	H(CCHN)	108.0390	0.000	1	108.0390	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[3x6]H)(CN[5]O)(H)2	H(CCHN)	H(CCHN)	C(NC[3x6]H)(CN[5]O)(H)2	H(CCHN)	H(CCHN)	108.1880	0.000	1	108.1880	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[5,6]C)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NC[5,6]C)(CCH)(H)2	H(CCHN)	H(CCHN)	107.5650	0.000	1	107.5650	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[5,6]H)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NC[5,6]H)(CNO)(H)2	H(CCHN)	H(CCHN)	106.6610	0.000	1	106.6610	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[5]C)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NC[5]C)(CCH)(H)2	H(CCHN)	H(CCHN)	107.7445	0.201	6	107.7445	0.041	6	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[5]C)(COO)(H)2	H(CCHN)	H(CCHN)	C(NC[5]C)(COO)(H)2	H(CCHN)	H(CCHN)	107.9145	0.081	2	107.9145	0.007	2	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[5]Cu)(COO)(H)2	H(CCHN)	H(CCHN)	C(NC[5]Cu)(COO)(H)2	H(CCHN)	H(CCHN)	108.0820	0.000	1	108.0820	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[5]H)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NC[5]H)(CCH)(H)2	H(CCHN)	H(CCHN)	107.7010	0.000	1	107.7010	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[5]H)(COO)(H)2	H(CCHN)	H(CCHN)	C(NC[5]H)(COO)(H)2	H(CCHN)	H(CCHN)	107.7177	0.184	3	107.7177	0.034	3	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[5]S)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NC[5]S)(CCH)(H)2	H(CCHN)	H(CCHN)	107.7210	0.000	1	107.7210	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[5a]C)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NC[5a]C)(CCH)(H)2	H(CCHN)	H(CCHN)	107.8230	0.010	2	107.8230	0.000	2	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[5a]C)(COO)(H)2	H(CCHN)	H(CCHN)	C(NC[5a]C)(COO)(H)2	H(CCHN)	H(CCHN)	107.8633	0.047	3	107.8633	0.002	3	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[5a]C[6a])(CCC)(H)2	H(CCHN)	H(CCHN)	C(NC[5a]C[6a])(CCC)(H)2	H(CCHN)	H(CCHN)	107.6150	0.000	1	107.6150	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[5a]H)(CNN)(H)2	H(CCHN)	H(CCHN)	C(NC[5a]H)(CNN)(H)2	H(CCHN)	H(CCHN)	107.6590	0.089	2	107.6590	0.008	2	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[5a]H)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NC[5a]H)(CNO)(H)2	H(CCHN)	H(CCHN)	107.5500	0.000	1	107.5500	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[5a]H)(COO)(H)2	H(CCHN)	H(CCHN)	C(NC[5a]H)(COO)(H)2	H(CCHN)	H(CCHN)	108.1140	0.000	1	108.1140	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[5a]S)(CCC)(H)2	H(CCHN)	H(CCHN)	C(NC[5a]S)(CCC)(H)2	H(CCHN)	H(CCHN)	107.9850	0.000	1	107.9850	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[5a]S)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NC[5a]S)(CCH)(H)2	H(CCHN)	H(CCHN)	107.3710	0.273	2	107.3710	0.074	2	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6,6]C[6a])(CCH)(H)2	H(CCHN)	H(CCHN)	C(NC[6,6]C[6a])(CCH)(H)2	H(CCHN)	H(CCHN)	107.4380	0.000	1	107.4380	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6]2)(COO)(H)2	H(CCHN)	H(CCHN)	C(NC[6]2)(COO)(H)2	H(CCHN)	H(CCHN)	107.6340	0.000	1	107.6340	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6]C)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NC[6]C)(CCH)(H)2	H(CCHN)	H(CCHN)	107.8540	0.000	1	107.8540	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6]C)(COO)(H)2	H(CCHN)	H(CCHN)	C(NC[6]C)(COO)(H)2	H(CCHN)	H(CCHN)	107.7285	0.025	2	107.7285	0.001	2	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6]H)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NC[6]H)(CNO)(H)2	H(CCHN)	H(CCHN)	107.4250	0.000	1	107.4250	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6]H)(COO)(H)2	H(CCHN)	H(CCHN)	C(NC[6]H)(COO)(H)2	H(CCHN)	H(CCHN)	107.8192	0.152	6	107.8192	0.023	6	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6]S)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NC[6]S)(CCH)(H)2	H(CCHN)	H(CCHN)	107.7865	0.154	4	107.7865	0.024	4	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]2)(CCC)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]2)(CCC)(H)2	H(CCHN)	H(CCHN)	109.4350	0.000	1	109.4350	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]2)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]2)(CCH)(H)2	H(CCHN)	H(CCHN)	107.6470	0.016	2	107.6470	0.000	2	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]2)(COO)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]2)(COO)(H)2	H(CCHN)	H(CCHN)	107.7285	0.092	6	107.7285	0.008	6	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]Al)(CCN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Al)(CCN)(H)2	H(CCHN)	H(CCHN)	108.1483	0.027	3	108.1483	0.001	3	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(CCC)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]C)(CCC)(H)2	H(CCHN)	H(CCHN)	107.4808	0.088	10	107.4808	0.008	10	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]C)(CCH)(H)2	H(CCHN)	H(CCHN)	107.8370	1.017	10	107.8370	1.034	10	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(CCO)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]C)(CCO)(H)2	H(CCHN)	H(CCHN)	107.5535	0.028	2	107.5535	0.001	2	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(CClC)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]C)(CClC)(H)2	H(CCHN)	H(CCHN)	107.6990	0.000	2	107.6990	0.000	2	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(CHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]C)(CHH)(H)2	H(CCHN)	H(CCHN)	109.4990	1.310	2	109.4990	1.715	2	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]C)(CNO)(H)2	H(CCHN)	H(CCHN)	108.5479	2.345	15	108.5479	5.500	15	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(CN[6]O)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]C)(CN[6]O)(H)2	H(CCHN)	H(CCHN)	107.9750	0.025	2	107.9750	0.001	2	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(COO)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]C)(COO)(H)2	H(CCHN)	H(CCHN)	107.8047	1.151	52	107.8047	1.325	52	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]H)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]H)(CCH)(H)2	H(CCHN)	H(CCHN)	107.9523	0.305	6	107.9523	0.093	6	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]H)(CCN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]H)(CCN)(H)2	H(CCHN)	H(CCHN)	107.8360	0.000	1	107.8360	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]H)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]H)(CNO)(H)2	H(CCHN)	H(CCHN)	107.7251	0.552	10	107.7251	0.305	10	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]H)(CN[6]O)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]H)(CN[6]O)(H)2	H(CCHN)	H(CCHN)	108.3370	0.000	1	108.3370	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]H)(COO)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]H)(COO)(H)2	H(CCHN)	H(CCHN)	107.8700	0.318	22	107.8700	0.101	22	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]Mg)(CCN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Mg)(CCN)(H)2	H(CCHN)	H(CCHN)	107.5163	0.046	3	107.5163	0.002	3	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]N)(COO)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]N)(COO)(H)2	H(CCHN)	H(CCHN)	107.6770	0.000	1	107.6770	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]P)(CCC)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]P)(CCC)(H)2	H(CCHN)	H(CCHN)	107.5290	0.000	1	107.5290	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]S)(CCC)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]S)(CCC)(H)2	H(CCHN)	H(CCHN)	107.8888	0.230	13	107.8888	0.053	13	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]S)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]S)(CCH)(H)2	H(CCHN)	H(CCHN)	107.7965	0.281	13	107.7965	0.079	13	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]S)(CCN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]S)(CCN)(H)2	H(CCHN)	H(CCHN)	107.9210	0.222	2	107.9210	0.049	2	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]S)(CC[6]C)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]S)(CC[6]C)(H)2	H(CCHN)	H(CCHN)	107.7400	0.000	1	107.7400	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]S)(COO)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]S)(COO)(H)2	H(CCHN)	H(CCHN)	107.9705	0.008	2	107.9705	0.000	2	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NCoC)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NCoC)(CCH)(H)2	H(CCHN)	H(CCHN)	107.7960	0.164	2	107.7960	0.027	2	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NCoC)(CHN)(H)2	H(CCHN)	H(CCHN)	C(NCoC)(CHN)(H)2	H(CCHN)	H(CCHN)	108.8710	0.000	1	108.8710	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NCoC)(COO)(H)2	H(CCHN)	H(CCHN)	C(NCoC)(COO)(H)2	H(CCHN)	H(CCHN)	107.9940	0.027	2	107.9940	0.001	2	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NCuC)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NCuC)(CCH)(H)2	H(CCHN)	H(CCHN)	106.4800	2.018	2	106.4800	4.073	2	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NCuC)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NCuC)(CNO)(H)2	H(CCHN)	H(CCHN)	108.1846	0.074	5	108.1846	0.006	5	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NCuC)(COO)(H)2	H(CCHN)	H(CCHN)	C(NCuC)(COO)(H)2	H(CCHN)	H(CCHN)	108.2719	0.320	14	108.2719	0.102	14	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NFeC)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NFeC)(CCH)(H)2	H(CCHN)	H(CCHN)	108.8075	1.095	2	108.8075	1.200	2	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NFeC)(CCN)(H)2	H(CCHN)	H(CCHN)	C(NFeC)(CCN)(H)2	H(CCHN)	H(CCHN)	107.7970	0.000	1	107.7970	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NLaN)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NLaN)(CCH)(H)2	H(CCHN)	H(CCHN)	107.7950	0.000	1	107.7950	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NMnC)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NMnC)(CNO)(H)2	H(CCHN)	H(CCHN)	108.1730	0.000	1	108.1730	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NMnC)(COO)(H)2	H(CCHN)	H(CCHN)	C(NMnC)(COO)(H)2	H(CCHN)	H(CCHN)	107.8890	0.000	1	107.8890	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NMoC)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NMoC)(CNO)(H)2	H(CCHN)	H(CCHN)	107.5920	0.468	2	107.5920	0.219	2	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NNiC)(CHN)(H)2	H(CCHN)	H(CCHN)	C(NNiC)(CHN)(H)2	H(CCHN)	H(CCHN)	108.4780	0.000	1	108.4780	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NNiC)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NNiC)(CNO)(H)2	H(CCHN)	H(CCHN)	108.2999	0.120	7	108.2999	0.014	7	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NNiC)(COO)(H)2	H(CCHN)	H(CCHN)	C(NNiC)(COO)(H)2	H(CCHN)	H(CCHN)	108.0740	0.782	11	108.0740	0.611	11	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NPdC)(CCC)(H)2	H(CCHN)	H(CCHN)	C(NPdC)(CCC)(H)2	H(CCHN)	H(CCHN)	107.3190	0.000	1	107.3190	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NPdC)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NPdC)(CNO)(H)2	H(CCHN)	H(CCHN)	108.0430	0.390	5	108.0430	0.152	5	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NPdC)(COO)(H)2	H(CCHN)	H(CCHN)	C(NPdC)(COO)(H)2	H(CCHN)	H(CCHN)	107.5565	0.330	2	107.5565	0.109	2	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NPtC)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NPtC)(CNO)(H)2	H(CCHN)	H(CCHN)	107.8870	0.084	5	107.8870	0.007	5	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NReC)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NReC)(CNO)(H)2	H(CCHN)	H(CCHN)	108.3450	0.000	1	108.3450	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NReC)(COO)(H)2	H(CCHN)	H(CCHN)	C(NReC)(COO)(H)2	H(CCHN)	H(CCHN)	108.0070	0.407	2	108.0070	0.166	2	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NRhC)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NRhC)(CCH)(H)2	H(CCHN)	H(CCHN)	108.1383	0.515	3	108.1383	0.265	3	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NRhC)(CHH)(H)2	H(CCHN)	H(CCHN)	C(NRhC)(CHH)(H)2	H(CCHN)	H(CCHN)	108.2840	0.000	1	108.2840	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NRhC)(COO)(H)2	H(CCHN)	H(CCHN)	C(NRhC)(COO)(H)2	H(CCHN)	H(CCHN)	107.7570	0.000	1	107.7570	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NRhH)(CHS)(H)2	H(CCHN)	H(CCHN)	C(NRhH)(CHS)(H)2	H(CCHN)	H(CCHN)	110.5920	2.629	2	110.5920	6.912	2	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NSnC)(COO)(H)2	H(CCHN)	H(CCHN)	C(NSnC)(COO)(H)2	H(CCHN)	H(CCHN)	104.6340	0.000	1	104.6340	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NTcC)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NTcC)(CNO)(H)2	H(CCHN)	H(CCHN)	108.2360	0.000	1	108.2360	0.000	1	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C-3:H-1:H-1:	C-4:	C-4:	C(NZnC)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NZnC)(CCH)(H)2	H(CCHN)	H(CCHN)	108.0180	0.349	2	108.0180	0.122	2	107.9178	0.790	310	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(NC[3x3,4,3x5,14x6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(NC[3x3,4,3x5,14x6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.1163	0.090	3	108.1163	0.008	3	108.1163	0.008	3	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:N-3:H-1:H-1:	C-4:	C-4:	C(NCC)(NCH)(H)2	H(CHNN)	H(CHNN)	C(NCC)(NCH)(H)2	H(CHNN)	H(CHNN)	107.6746	0.174	5	107.6746	0.030	5	108.4763	4.163	79	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:N-3:H-1:H-1:	C-4:	C-4:	C(NCC)(NNP)(H)2	H(CHNN)	H(CHNN)	C(NCC)(NNP)(H)2	H(CHNN)	H(CHNN)	107.5240	0.259	2	107.5240	0.067	2	108.4763	4.163	79	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:N-3:H-1:H-1:	C-4:	C-4:	C(NCC)2(H)2	H(CHNN)	H(CHNN)	C(NCC)2(H)2	H(CHNN)	H(CHNN)	107.3841	1.127	27	107.3841	1.269	27	108.4763	4.163	79	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:N-3:H-1:H-1:	C-4:	C-4:	C(NCH)2(H)2	H(CHNN)	H(CHNN)	C(NCH)2(H)2	H(CHNN)	H(CHNN)	107.7430	0.000	1	107.7430	0.000	1	108.4763	4.163	79	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:N-3:H-1:H-1:	C-4:	C-4:	C(NCN)2(H)2	H(CHNN)	H(CHNN)	C(NCN)2(H)2	H(CHNN)	H(CHNN)	109.8762	2.158	14	109.8762	4.659	14	108.4763	4.163	79	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:N-3:H-1:H-1:	C-4:	C-4:	C(NC[5a]H)2(H)2	H(CHNN)	H(CHNN)	C(NC[5a]H)2(H)2	H(CHNN)	H(CHNN)	107.6120	0.000	1	107.6120	0.000	1	108.4763	4.163	79	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:N-3:H-1:H-1:	C-4:	C-4:	C(NC[5a]N)2(H)2	H(CHNN)	H(CHNN)	C(NC[5a]N)2(H)2	H(CHNN)	H(CHNN)	107.6940	0.074	2	107.6940	0.005	2	108.4763	4.163	79	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:N-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]2)(NCH)(H)2	H(CHNN)	H(CHNN)	C(NC[6a]2)(NCH)(H)2	H(CHNN)	H(CHNN)	109.3045	0.323	2	109.3045	0.104	2	108.4763	4.163	79	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:N-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(NCH)(H)2	H(CHNN)	H(CHNN)	C(NC[6a]C)(NCH)(H)2	H(CHNN)	H(CHNN)	108.0665	1.076	2	108.0665	1.157	2	108.4763	4.163	79	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:N-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(NNS)(H)2	H(CHNN)	H(CHNN)	C(NC[6a]C)(NNS)(H)2	H(CHNN)	H(CHNN)	108.3340	0.096	2	108.3340	0.009	2	108.4763	4.163	79	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:N-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)2(H)2	H(CHNN)	H(CHNN)	C(NC[6a]C)2(H)2	H(CHNN)	H(CHNN)	109.4180	2.309	5	109.4180	5.330	5	108.4763	4.163	79	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:N-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]H)(NCC)(H)2	H(CHNN)	H(CHNN)	C(NC[6a]H)(NCC)(H)2	H(CHNN)	H(CHNN)	107.5960	0.000	1	107.5960	0.000	1	108.4763	4.163	79	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:N-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]H)2(H)2	H(CHNN)	H(CHNN)	C(NC[6a]H)2(H)2	H(CHNN)	H(CHNN)	108.6435	1.777	2	108.6435	3.158	2	108.4763	4.163	79	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:N-3:H-1:H-1:	C-4:	C-4:	C(NCoC)(NCC)(H)2	H(CHNN)	H(CHNN)	C(NCoC)(NCC)(H)2	H(CHNN)	H(CHNN)	114.5140	3.425	2	114.5140	11.732	2	108.4763	4.163	79	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:N-3:H-1:H-1:	C-4:	C-4:	C(NCoC)2(H)2	H(CHNN)	H(CHNN)	C(NCoC)2(H)2	H(CHNN)	H(CHNN)	108.0960	0.000	1	108.0960	0.000	1	108.4763	4.163	79	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:N-3:H-1:H-1:	C-4:	C-4:	C(NCuC)(NCC)(H)2	H(CHNN)	H(CHNN)	C(NCuC)(NCC)(H)2	H(CHNN)	H(CHNN)	108.2763	0.423	4	108.2763	0.179	4	108.4763	4.163	79	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:N-3:H-1:H-1:	C-4:	C-4:	C(NHN)2(H)2	H(CHNN)	H(CHNN)	C(NHN)2(H)2	H(CHNN)	H(CHNN)	107.4420	0.000	1	107.4420	0.000	1	108.4763	4.163	79	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:N-3:H-1:H-1:	C-4:	C-4:	C(NHS)2(H)2	H(CHNN)	H(CHNN)	C(NHS)2(H)2	H(CHNN)	H(CHNN)	107.3793	0.181	3	107.3793	0.033	3	108.4763	4.163	79	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:N-3:H-1:H-1:	C-4:	C-4:	C(NNiC)(NCC)(H)2	H(CHNN)	H(CHNN)	C(NNiC)(NCC)(H)2	H(CHNN)	H(CHNN)	114.6900	0.000	1	114.6900	0.000	1	108.4763	4.163	79	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:N-3:H-1:H-1:	C-4:	C-4:	C(NSiC)(NCC)(H)2	H(CHNN)	H(CHNN)	C(NSiC)(NCC)(H)2	H(CHNN)	H(CHNN)	109.9390	0.000	1	109.9390	0.000	1	108.4763	4.163	79	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:P-3:H-1:H-1:	C-4:	C-4:	C(NCC)(PCC)(H)2	H(CHNP)	H(CHNP)	C(NCC)(PCC)(H)2	H(CHNP)	H(CHNP)	109.9480	2.417	3	109.9480	5.844	3	108.1357	1.322	20	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:P-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]Al)(PCC)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]Al)(PCC)(H)2	H(CHNP)	H(CHNP)	107.9055	0.018	2	107.9055	0.000	2	108.1357	1.322	20	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:P-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(PCC)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]C)(PCC)(H)2	H(CHNP)	H(CHNP)	107.4585	0.043	2	107.4585	0.002	2	108.1357	1.322	20	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:P-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(PC[5]C)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]C)(PC[5]C)(H)2	H(CHNP)	H(CHNP)	107.6783	0.253	6	107.6783	0.064	6	108.1357	1.322	20	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:P-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(PC[6a]2)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]C)(PC[6a]2)(H)2	H(CHNP)	H(CHNP)	107.9483	0.089	3	107.9483	0.008	3	108.1357	1.322	20	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:P-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]H)(PC[6a]2)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]H)(PC[6a]2)(H)2	H(CHNP)	H(CHNP)	107.8070	0.748	2	107.8070	0.560	2	108.1357	1.322	20	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:P-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]Sn)(PCC)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]Sn)(PCC)(H)2	H(CHNP)	H(CHNP)	108.3065	0.120	2	108.3065	0.014	2	108.1357	1.322	20	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:S-3:H-1:H-1:	C-4:	C-4:	C(NC[5]C)(SFe2)(H)2	H(CHNS)	H(CHNS)	C(NC[5]C)(SFe2)(H)2	H(CHNS)	H(CHNS)	107.4817	0.157	7	107.4817	0.025	7	107.4443	0.019	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:S-3:H-1:H-1:	C-4:	C-4:	C(NC[6]C)(SFe2)(H)2	H(CHNS)	H(CHNS)	C(NC[6]C)(SFe2)(H)2	H(CHNS)	H(CHNS)	107.5275	0.166	4	107.5275	0.028	4	107.4443	0.019	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:S-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(SFe2)(H)2	H(CHNS)	H(CHNS)	C(NC[6a]C)(SFe2)(H)2	H(CHNS)	H(CHNS)	107.4319	0.135	49	107.4319	0.018	49	107.4443	0.019	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:S-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(SFeNi)(H)2	H(CHNS)	H(CHNS)	C(NC[6a]C)(SFeNi)(H)2	H(CHNS)	H(CHNS)	107.4525	0.050	2	107.4525	0.003	2	107.4443	0.019	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N-3:Se-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(SeFe2)(H)2	H(CSeHN)	H(CSeHN)	C(NC[6a]C)(SeFe2)(H)2	H(CSeHN)	H(CSeHN)	107.3762	0.073	6	107.3762	0.005	6	107.3762	0.005	6	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[3]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[3]C[3,5]C[3])(C[6a]C[6a]2)(H)2	H(CC[6a]N[3]H)	H(CC[6a]N[3]H)	C(N[3]C[3,5]C[3])(C[6a]C[6a]2)(H)2	H(CC[6a]N[3]H)	H(CC[6a]N[3]H)	110.0350	0.000	1	110.0350	0.000	1	108.3764	0.889	5	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[3]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[3]C[3]N[3])(C[6a]C[6a]2)(H)2	H(CC[6a]N[3]H)	H(CC[6a]N[3]H)	C(N[3]C[3]N[3])(C[6a]C[6a]2)(H)2	H(CC[6a]N[3]H)	H(CC[6a]N[3]H)	108.1215	0.110	2	108.1215	0.012	2	108.3764	0.889	5	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[3]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[3]Nb[3,6]C[3])(C[6a]C[6a]2)(H)2	H(CC[6a]N[3]H)	H(CC[6a]N[3]H)	C(N[3]Nb[3,6]C[3])(C[6a]C[6a]2)(H)2	H(CC[6a]N[3]H)	H(CC[6a]N[3]H)	107.8020	0.051	2	107.8020	0.003	2	108.3764	0.889	5	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[4,6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[4,6]C[4,6,6]2)(CCH)(H)2	H(CN[4,6]CH)	H(CN[4,6]CH)	C(N[4,6]C[4,6,6]2)(CCH)(H)2	H(CN[4,6]CH)	H(CN[4,6]CH)	107.9920	0.000	1	107.9920	0.000	1	107.9920	0.000	1	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[4]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[4]C[4,4]C[4])(CCH)(H)2	H(CN[4]CH)	H(CN[4]CH)	C(N[4]C[4,4]C[4])(CCH)(H)2	H(CN[4]CH)	H(CN[4]CH)	107.6410	0.000	1	107.6410	0.000	1	108.2447	0.533	9	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[4]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[4]C[4,6]C[4])(CCH)(H)2	H(CN[4]CH)	H(CN[4]CH)	C(N[4]C[4,6]C[4])(CCH)(H)2	H(CN[4]CH)	H(CN[4]CH)	107.9040	0.000	1	107.9040	0.000	1	108.2447	0.533	9	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[4]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[4]C[4]2)(CCH)(H)2	H(CN[4]CH)	H(CN[4]CH)	C(N[4]C[4]2)(CCH)(H)2	H(CN[4]CH)	H(CN[4]CH)	108.0992	0.265	6	108.0992	0.070	6	108.2447	0.533	9	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[4]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[4]C[4]2)(CNO)(H)2	H(CN[4]CH)	H(CN[4]CH)	C(N[4]C[4]2)(CNO)(H)2	H(CN[4]CH)	H(CN[4]CH)	110.0620	0.000	1	110.0620	0.000	1	108.2447	0.533	9	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[4]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[4]C[4,5,6]C[4])(C[6a]C[6a]2)(H)2	H(CC[6a]N[4]H)	H(CC[6a]N[4]H)	C(N[4]C[4,5,6]C[4])(C[6a]C[6a]2)(H)2	H(CC[6a]N[4]H)	H(CC[6a]N[4]H)	107.4570	0.000	1	107.4570	0.000	1	107.9377	0.360	7	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[4]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[4]C[4,5]C[4])(C[6a]C[6a]2)(H)2	H(CC[6a]N[4]H)	H(CC[6a]N[4]H)	C(N[4]C[4,5]C[4])(C[6a]C[6a]2)(H)2	H(CC[6a]N[4]H)	H(CC[6a]N[4]H)	108.0106	0.687	5	108.0106	0.473	5	107.9377	0.360	7	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[4]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[4]C[4,6]C[4])(C[6a]C[6a]2)(H)2	H(CC[6a]N[4]H)	H(CC[6a]N[4]H)	C(N[4]C[4,6]C[4])(C[6a]C[6a]2)(H)2	H(CC[6a]N[4]H)	H(CC[6a]N[4]H)	108.0540	0.000	1	108.0540	0.000	1	107.9377	0.360	7	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5,5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5,5]C[5,5,6]2)(CCH)(H)2	H(CN[5,5]CH)	H(CN[5,5]CH)	C(N[5,5]C[5,5,6]2)(CCH)(H)2	H(CN[5,5]CH)	H(CN[5,5]CH)	107.9805	0.011	2	107.9805	0.000	2	107.9805	0.000	2	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5,5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5,5]C[4,5,5]C[5,5])(C[6a]C[6a]2)(H)2	H(CN[5,5]C[6a]H)	H(CN[5,5]C[6a]H)	C(N[5,5]C[4,5,5]C[5,5])(C[6a]C[6a]2)(H)2	H(CN[5,5]C[6a]H)	H(CN[5,5]C[6a]H)	113.3240	0.000	1	113.3240	0.000	1	110.6115	14.715	2	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5,5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5,5]C[5,5,6]2)(C[6a]C[6a]2)(H)2	H(CN[5,5]C[6a]H)	H(CN[5,5]C[6a]H)	C(N[5,5]C[5,5,6]2)(C[6a]C[6a]2)(H)2	H(CN[5,5]C[6a]H)	H(CN[5,5]C[6a]H)	107.8990	0.000	1	107.8990	0.000	1	110.6115	14.715	2	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5,6]C[5,6]2)(CCH)(H)2	H(CN[5,6]CH)	H(CN[5,6]CH)	C(N[5,6]C[5,6]2)(CCH)(H)2	H(CN[5,6]CH)	H(CN[5,6]CH)	107.9220	0.062	3	107.9220	0.004	3	107.9220	0.004	3	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5,6]C[5,5,6]2)(C[6a]C[6a]2)(H)2	H(CN[5,6]C[6a]H)	H(CN[5,6]C[6a]H)	C(N[5,6]C[5,5,6]2)(C[6a]C[6a]2)(H)2	H(CN[5,6]C[6a]H)	H(CN[5,6]C[6a]H)	107.9930	0.013	2	107.9930	0.000	2	107.8802	0.027	11	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	H(CN[5,6]C[6a]H)	H(CN[5,6]C[6a]H)	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	H(CN[5,6]C[6a]H)	H(CN[5,6]C[6a]H)	107.6895	0.097	4	107.6895	0.009	4	107.8802	0.027	11	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H)2	H(CN[5,6]C[6a]H)	H(CN[5,6]C[6a]H)	C(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H)2	H(CN[5,6]C[6a]H)	H(CN[5,6]C[6a]H)	107.9876	0.057	5	107.9876	0.003	5	107.8802	0.027	11	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]B[5]C[5])(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]B[5]C[5])(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0420	0.000	1	108.0420	0.000	1	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5]C[5])(COO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(COO)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6510	0.000	1	107.6510	0.000	1	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5]N[5])(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,5]N[5])(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6740	0.000	1	107.6740	0.000	1	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5a]C[5])(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,5a]C[5])(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7950	0.000	1	107.7950	0.000	1	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]C[5])(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0358	0.834	5	108.0358	0.695	5	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]C[5])(CCI)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCI)(H)2	H(CN[5]CH)	H(CN[5]CH)	109.6260	0.000	1	109.6260	0.000	1	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]C[5])(CC[6a]O)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CC[6a]O)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0170	0.341	2	108.0170	0.116	2	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]C[5])(CNO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CNO)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8350	0.000	1	107.8350	0.000	1	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,5])(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9305	0.135	2	107.9305	0.018	2	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,6])(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	106.8110	0.000	1	106.8110	0.000	1	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCC)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCC)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8610	0.151	2	107.8610	0.023	2	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9506	0.867	58	107.9506	0.752	58	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCO)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.4050	0.000	1	108.4050	0.000	1	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC[6]C)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CC[6]C)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.3740	0.000	1	107.3740	0.000	1	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7310	0.000	1	107.7310	0.000	1	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(CNO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CNO)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.1291	2.371	8	107.1291	5.623	8	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(CN[6]O)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CN[6]O)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0410	0.000	1	108.0410	0.000	1	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(COO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(COO)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.2299	1.335	23	108.2299	1.781	23	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]N[5])(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]N[5])(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9970	0.000	1	107.9970	0.000	1	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]N[5])(CC[6a]O)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]N[5])(CC[6a]O)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0025	0.042	2	108.0025	0.002	2	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]N[5])(COO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]N[5])(COO)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7889	0.304	7	107.7889	0.092	7	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CBrC)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CBrC)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8725	0.043	2	107.8725	0.002	2	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CCC)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CCC)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6376	0.226	10	107.6376	0.051	10	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8324	0.415	71	107.8324	0.172	71	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CCI)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CCI)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8807	0.084	6	107.8807	0.007	6	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CCN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CCN)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.9650	0.751	2	108.9650	0.564	2	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CCO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CCO)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7905	0.040	2	107.7905	0.002	2	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CC[4]N)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[4]N)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6210	0.055	2	107.6210	0.003	2	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CC[5]H)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[5]H)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8750	0.000	1	107.8750	0.000	1	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CC[5a]O)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[5a]O)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7250	0.018	2	107.7250	0.000	2	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CC[6a]C)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]C)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8081	0.173	8	107.8081	0.030	8	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CC[6a]N)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]N)(H)2	H(CN[5]CH)	H(CN[5]CH)	110.4390	0.000	1	110.4390	0.000	1	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CC[6a]O)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]O)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9016	0.143	15	107.9016	0.020	15	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CClC)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CClC)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0590	0.000	1	108.0590	0.000	1	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7605	0.054	2	107.7605	0.003	2	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CIrC)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CIrC)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.2400	0.000	1	108.2400	0.000	1	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CNN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CNN)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8900	0.000	1	107.8900	0.000	1	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CNO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CNO)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.6435	3.472	82	108.6435	12.051	82	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CN[5]O)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]O)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0465	0.317	2	108.0465	0.101	2	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CN[6]O)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[6]O)(H)2	H(CN[5]CH)	H(CN[5]CH)	109.4050	0.000	1	109.4050	0.000	1	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.1903	2.667	75	108.1903	7.111	75	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(COsO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(COsO)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.5130	0.000	1	108.5130	0.000	1	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CSS)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CSS)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7195	0.086	4	107.7195	0.007	4	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(CCC)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCC)(H)2	H(CN[5]CH)	H(CN[5]CH)	111.0530	4.560	3	111.0530	20.793	3	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7173	0.175	6	107.7173	0.031	6	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(COO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]N[5])(COO)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.2768	1.604	11	108.2768	2.572	11	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(CSS)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CSS)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8030	0.000	1	107.8030	0.000	1	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]S[5])(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]S[5])(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	109.2324	1.807	5	109.2324	3.265	5	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]S[5])(CCO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]S[5])(CCO)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7940	0.000	1	107.7940	0.000	1	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]S[5])(CC[6a]O)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]S[5])(CC[6a]O)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9294	0.064	8	107.9294	0.004	8	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]S[5])(CNO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]S[5])(CNO)(H)2	H(CN[5]CH)	H(CN[5]CH)	110.0710	0.000	1	110.0710	0.000	1	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]S[5])(COO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]S[5])(COO)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8115	0.079	6	107.8115	0.006	6	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]N[5]2)(CC[6a]O)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]N[5]2)(CC[6a]O)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8930	0.000	1	107.8930	0.000	1	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]N[5]2)(COO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]N[5]2)(COO)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6990	0.000	1	107.6990	0.000	1	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]Se[5]C[5])(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]Se[5]C[5])(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7490	0.000	1	107.7490	0.000	1	108.1297	3.982	458	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(N[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	107.7908	0.413	4	107.7908	0.171	4	107.7208	0.115	6	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(C[5]N[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(N[5]C[5]N[5])(C[5]N[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	107.5810	0.048	2	107.5810	0.002	2	107.7208	0.115	6	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[5a]N[5a]2)(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	C(N[5]C[5,6a]C[5])(C[5a]N[5a]2)(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	108.2690	0.065	2	108.2690	0.004	2	108.0067	0.189	4	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(C[5a]C[5a]2)(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	C(N[5]C[5]N[5])(C[5a]C[5a]2)(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	107.3650	0.000	1	107.3650	0.000	1	108.0067	0.189	4	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(C[5a]N[5a]2)(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	C(N[5]C[5]N[5])(C[5a]N[5a]2)(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	108.1240	0.000	1	108.1240	0.000	1	108.0067	0.189	4	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6]C[6]2)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(N[5]C[5,5]C[5])(C[6]C[6]2)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	107.4607	0.259	3	107.4607	0.067	3	107.8281	0.098	20	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6]C[6]N[6])(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(N[5]C[5,6]C[5])(C[6]C[6]N[6])(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	107.7070	0.000	1	107.7070	0.000	1	107.8281	0.098	20	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	107.8536	0.302	11	107.8536	0.091	11	107.8281	0.098	20	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]N[5])(C[6]C[6]N[6])(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(N[5]C[5,6a]N[5])(C[6]C[6]N[6])(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	107.8010	0.000	1	107.8010	0.000	1	107.8281	0.098	20	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	108.0703	0.222	4	108.0703	0.049	4	107.8281	0.098	20	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.4980	0.130	5	107.4980	0.017	5	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[3,5]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[3,5]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	109.5020	0.000	1	109.5020	0.000	1	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[4,5]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[4,5]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.8580	0.000	1	107.8580	0.000	1	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.8520	0.000	1	107.8520	0.000	1	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	108.4267	1.132	7	108.4267	1.282	7	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5,6]N[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5,5,6]N[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.4790	0.000	1	107.4790	0.000	1	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.7129	0.476	104	107.7129	0.226	104	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.5777	0.306	3	107.5777	0.093	3	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.9640	0.075	2	107.9640	0.006	2	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6,6]C[5,6a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5,6,6]C[5,6a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	104.8870	0.000	1	104.8870	0.000	1	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.9926	0.690	69	107.9926	0.476	69	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]N[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5,6]N[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.7255	0.149	2	107.7255	0.022	2	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]O[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5,6]O[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.8155	0.213	4	107.8155	0.045	4	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]P[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5,6]P[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.4895	0.066	2	107.4895	0.004	2	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.5842	0.213	19	107.5842	0.046	19	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.3368	1.087	11	107.3368	1.182	11	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a,6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a,6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.7770	0.000	1	107.7770	0.000	1	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.7871	0.653	722	107.7871	0.427	722	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]Ge[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]Ge[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.4675	0.136	2	107.4675	0.019	2	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.8633	0.083	3	107.8633	0.007	3	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]P[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]P[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.4495	0.189	2	107.4495	0.036	2	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]Se[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]Se[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.9737	0.107	3	107.9737	0.011	3	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]Si[5])(C[6a]C[6a]N[6a])(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]Si[5])(C[6a]C[6a]N[6a])(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	108.4125	0.039	2	108.4125	0.002	2	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.9011	0.411	255	107.9011	0.169	255	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	108.0715	0.966	26	108.0715	0.933	26	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.5013	0.176	9	107.5013	0.031	9	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.7079	1.158	14	107.7079	1.340	14	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]N[5,6]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]N[5,6]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.6240	0.000	1	107.6240	0.000	1	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]N[5]P[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]N[5]P[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	108.0203	0.065	3	108.0203	0.004	3	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]P[5,6]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]P[5,6]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.6995	0.136	6	107.6995	0.019	6	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]Se[5]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]Se[5]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.8177	0.105	9	107.8177	0.011	9	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.7230	0.000	1	107.7230	0.000	1	107.8120	0.385	1292	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(NCC)(H)2	H(CN[5]HN)	H(CN[5]HN)	C(N[5]C[5]2)(NCC)(H)2	H(CN[5]HN)	H(CN[5]HN)	108.0445	2.570	2	108.0445	6.607	2	107.7657	0.309	32	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(NC[6a]C)(H)2	H(CN[5]HN)	H(CN[5]HN)	C(N[5]C[5]2)(NC[6a]C)(H)2	H(CN[5]HN)	H(CN[5]HN)	107.5530	0.000	1	107.5530	0.000	1	107.7657	0.309	32	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(NCC)(H)2	H(CN[5]HN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NCC)(H)2	H(CN[5]HN)	H(CN[5]HN)	107.8308	0.389	12	107.8308	0.151	12	107.7657	0.309	32	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(NC[6a]2)(H)2	H(CN[5]HN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NC[6a]2)(H)2	H(CN[5]HN)	H(CN[5]HN)	107.8895	0.006	2	107.8895	0.000	2	107.7657	0.309	32	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(NC[6a]C)(H)2	H(CN[5]HN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NC[6a]C)(H)2	H(CN[5]HN)	H(CN[5]HN)	107.7021	0.258	13	107.7021	0.067	13	107.7657	0.309	32	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(NC[6a]H)(H)2	H(CN[5]HN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NC[6a]H)(H)2	H(CN[5]HN)	H(CN[5]HN)	107.4935	0.111	2	107.4935	0.012	2	107.7657	0.309	32	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[3x5]C[5])2(H)2	H(CN[5]2H)	H(CN[5]2H)	C(N[5]C[3x5]C[5])2(H)2	H(CN[5]2H)	H(CN[5]2H)	107.5838	0.094	18	107.5838	0.009	18	107.9000	0.447	897	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5,6]C[5])(N[5]C[5,5]C[5])(H)2	H(CN[5]2H)	H(CN[5]2H)	C(N[5]C[5,5,6]C[5])(N[5]C[5,5]C[5])(H)2	H(CN[5]2H)	H(CN[5]2H)	107.6884	0.090	8	107.6884	0.008	8	107.9000	0.447	897	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5,6]C[5])2(H)2	H(CN[5]2H)	H(CN[5]2H)	C(N[5]C[5,5,6]C[5])2(H)2	H(CN[5]2H)	H(CN[5]2H)	107.5909	0.114	33	107.5909	0.013	33	107.9000	0.447	897	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5]C[5])2(H)2	H(CN[5]2H)	H(CN[5]2H)	C(N[5]C[5,5]C[5])2(H)2	H(CN[5]2H)	H(CN[5]2H)	107.7255	0.365	548	107.7255	0.133	548	107.9000	0.447	897	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]C[5])2(H)2	H(CN[5]2H)	H(CN[5]2H)	C(N[5]C[5,6]C[5])2(H)2	H(CN[5]2H)	H(CN[5]2H)	107.6617	0.293	8	107.6617	0.086	8	107.9000	0.447	897	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])2(H)2	H(CN[5]2H)	H(CN[5]2H)	C(N[5]C[5,6a]C[5])2(H)2	H(CN[5]2H)	H(CN[5]2H)	108.2422	0.190	4	108.2422	0.036	4	107.9000	0.447	897	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]N[5])2(H)2	H(CN[5]2H)	H(CN[5]2H)	C(N[5]C[5,6a]N[5])2(H)2	H(CN[5]2H)	H(CN[5]2H)	108.0633	0.103	6	108.0633	0.011	6	107.9000	0.447	897	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)2(H)2	H(CN[5]2H)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	H(CN[5]2H)	H(CN[5]2H)	108.2237	0.495	227	108.2237	0.245	227	107.9000	0.447	897	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	H(CN[5]2H)	H(CN[5]2H)	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	H(CN[5]2H)	H(CN[5]2H)	108.1398	0.230	5	108.1398	0.053	5	107.9000	0.447	897	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])2(H)2	H(CN[5]2H)	H(CN[5]2H)	C(N[5]C[5]N[5])2(H)2	H(CN[5]2H)	H(CN[5]2H)	108.8526	2.190	40	108.8526	4.795	40	107.9000	0.447	897	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5]C[5])(N[6]C[6,6]C[6])(H)2	H(CN[5]N[6]H)	H(CN[5]N[6]H)	C(N[5]C[5,5]C[5])(N[6]C[6,6]C[6])(H)2	H(CN[5]N[6]H)	H(CN[5]N[6]H)	107.6320	0.078	5	107.6320	0.006	5	107.8360	1.142	25	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(N[6]C[6]2)(H)2	H(CN[5]N[6]H)	H(CN[5]N[6]H)	C(N[5]C[5,6a]C[5])(N[6]C[6]2)(H)2	H(CN[5]N[6]H)	H(CN[5]N[6]H)	111.8900	0.000	1	111.8900	0.000	1	107.8360	1.142	25	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(N[6]C[6]2)(H)2	H(CN[5]N[6]H)	H(CN[5]N[6]H)	C(N[5]C[5]2)(N[6]C[6]2)(H)2	H(CN[5]N[6]H)	H(CN[5]N[6]H)	108.6347	1.770	3	108.6347	3.132	3	107.8360	1.142	25	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	H(CN[5]N[6]H)	H(CN[5]N[6]H)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	H(CN[5]N[6]H)	H(CN[5]N[6]H)	107.4967	0.219	16	107.4967	0.048	16	107.8360	1.142	25	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:P-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(PC[6a]2)(H)2	H(CN[5]HP)	H(CN[5]HP)	C(N[5]C[5,6a]C[5])(PC[6a]2)(H)2	H(CN[5]HP)	H(CN[5]HP)	107.7678	0.123	4	107.7678	0.015	4	108.0347	0.164	9	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:P-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]Ge[5])(PCC)(H)2	H(CN[5]HP)	H(CN[5]HP)	C(N[5]C[5,6a]Ge[5])(PCC)(H)2	H(CN[5]HP)	H(CN[5]HP)	107.9680	0.000	1	107.9680	0.000	1	108.0347	0.164	9	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:P-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]Si[5])(PC[6a]2)(H)2	H(CN[5]HP)	H(CN[5]HP)	C(N[5]C[5,6a]Si[5])(PC[6a]2)(H)2	H(CN[5]HP)	H(CN[5]HP)	108.3183	0.469	4	108.3183	0.220	4	108.0347	0.164	9	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:S-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(SC[6a]Ir)(H)2	H(CN[5]HS)	H(CN[5]HS)	C(N[5]C[5,6a]C[5])(SC[6a]Ir)(H)2	H(CN[5]HS)	H(CN[5]HS)	107.9825	0.203	2	107.9825	0.041	2	108.0008	0.074	11	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:S-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(SC[6a]Ru)(H)2	H(CN[5]HS)	H(CN[5]HS)	C(N[5]C[5,6a]C[5])(SC[6a]Ru)(H)2	H(CN[5]HS)	H(CN[5]HS)	107.7300	0.011	2	107.7300	0.000	2	108.0008	0.074	11	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:S-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(SC[6a]O)(H)2	H(CN[5]HS)	H(CN[5]HS)	C(N[5]C[5]2)(SC[6a]O)(H)2	H(CN[5]HS)	H(CN[5]HS)	108.0450	0.546	2	108.0450	0.298	2	108.0008	0.074	11	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:S-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(SPdC)(H)2	H(CN[5]HS)	H(CN[5]HS)	C(N[5]C[5]2)(SPdC)(H)2	H(CN[5]HS)	H(CN[5]HS)	108.3270	0.000	2	108.3270	0.000	2	108.0008	0.074	11	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:S-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(SC[6a]Rh)(H)2	H(CN[5]HS)	H(CN[5]HS)	C(N[5]C[5]N[5])(SC[6a]Rh)(H)2	H(CN[5]HS)	H(CN[5]HS)	107.9470	0.180	2	107.9470	0.032	2	108.0008	0.074	11	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:S-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(SC[6a]Ru)(H)2	H(CN[5]HS)	H(CN[5]HS)	C(N[5]C[5]N[5])(SC[6a]Ru)(H)2	H(CN[5]HS)	H(CN[5]HS)	107.9460	0.000	1	107.9460	0.000	1	108.0008	0.074	11	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(SeC[6a]Ir)(H)2	H(CN[5]SeH)	H(CN[5]SeH)	C(N[5]C[5,6a]C[5])(SeC[6a]Ir)(H)2	H(CN[5]SeH)	H(CN[5]SeH)	107.8840	0.105	2	107.8840	0.011	2	107.9090	0.035	7	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(SeC[6a]Ru)(H)2	H(CN[5]SeH)	H(CN[5]SeH)	C(N[5]C[5,6a]C[5])(SeC[6a]Ru)(H)2	H(CN[5]SeH)	H(CN[5]SeH)	107.7520	0.041	2	107.7520	0.002	2	107.9090	0.035	7	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(SeC[6a]Ni)(H)2	H(CN[5]SeH)	H(CN[5]SeH)	C(N[5]C[5]N[5])(SeC[6a]Ni)(H)2	H(CN[5]SeH)	H(CN[5]SeH)	108.0080	0.317	2	108.0080	0.100	2	107.9090	0.035	7	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5]-3:Se-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(SeC[6a]Ru)(H)2	H(CN[5]SeH)	H(CN[5]SeH)	C(N[5]C[5]N[5])(SeC[6a]Ru)(H)2	H(CN[5]SeH)	H(CN[5]SeH)	108.0750	0.000	1	108.0750	0.000	1	107.9090	0.035	7	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]B[5a]C[5a])(COO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]B[5a]C[5a])(COO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.6830	0.079	2	107.6830	0.006	2	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(CCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,5a]C[5a,6a])(CCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.6900	0.000	1	107.6900	0.000	1	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(COO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(COO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8440	0.000	1	107.8440	0.000	1	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]2)(CCC)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCC)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.6531	0.167	8	107.6531	0.028	8	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]2)(CCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.6907	0.050	3	107.6907	0.002	3	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]2)(COO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(COO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.5150	0.180	4	107.5150	0.032	4	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(CCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5,5a])(CCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7560	0.106	3	107.7560	0.011	3	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(CCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a,6])(CCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.0550	0.000	1	108.0550	0.000	1	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(COO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a,6])(COO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8850	0.000	1	107.8850	0.000	1	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.9093	0.076	6	107.9093	0.006	6	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.6738	0.542	33	107.6738	0.293	33	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[5a]N)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[5a]N)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.5690	0.918	4	108.5690	0.842	4	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[6]C)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[6]C)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8390	0.000	1	107.8390	0.000	1	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[6a]N)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]N)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	109.5390	0.000	1	109.5390	0.000	1	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.3150	0.715	3	108.3150	0.512	3	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.2800	0.000	1	107.2800	0.000	1	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.9420	0.203	3	107.9420	0.041	3	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.1908	1.049	34	108.1908	1.101	34	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCC)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCC)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.6998	0.174	5	107.6998	0.030	5	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8088	0.144	10	107.8088	0.021	10	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.6120	0.025	2	107.6120	0.001	2	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8390	0.000	1	107.8390	0.000	1	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CNO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CNO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.0152	0.077	4	108.0152	0.006	4	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CN[6]O)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CN[6]O)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.1010	0.000	1	108.1010	0.000	1	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(COO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(COO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7612	0.158	4	107.7612	0.025	4	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CBrC)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CBrC)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.6250	0.000	1	107.6250	0.000	1	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8624	0.482	19	107.8624	0.232	19	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CCN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	109.3224	2.451	5	109.3224	6.007	5	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CCO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8240	0.147	3	107.8240	0.022	3	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CC[6]C)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6]C)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.6460	0.000	1	107.6460	0.000	1	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]N)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6a]N)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	101.4150	0.000	1	101.4150	0.000	1	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]O)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8492	0.135	10	107.8492	0.018	10	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CNO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CNO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.0183	0.287	12	108.0183	0.082	12	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(COO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(COO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.2359	1.092	36	108.2359	1.193	36	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCC)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCC)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.9490	0.000	1	107.9490	0.000	1	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8628	0.152	17	107.8628	0.023	17	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCI)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCI)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7810	0.000	1	107.7810	0.000	1	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.6060	0.000	1	107.6060	0.000	1	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7170	0.000	1	107.7170	0.000	1	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[5a]O)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[5a]O)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7290	0.057	2	107.7290	0.003	2	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]N)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]N)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.9727	0.033	3	107.9727	0.001	3	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.9702	0.304	16	107.9702	0.092	16	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CNO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CNO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.9111	0.336	13	107.9111	0.113	13	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN[5]C)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN[5]C)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.9540	0.000	1	107.9540	0.000	1	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN[5]O)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN[5]O)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.0895	0.155	2	108.0895	0.024	2	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(COO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(COO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.2572	1.974	41	108.2572	3.897	41	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]O[5a])(CCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]O[5a])(CCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.9180	0.000	1	107.9180	0.000	1	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]S[5a])(COO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]S[5a])(COO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7890	0.000	1	107.7890	0.000	1	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]N[5a]2)(CCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	112.2330	1.201	2	112.2330	1.442	2	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]N[5a]2)(CC[6a]O)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CC[6a]O)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7770	0.000	1	107.7770	0.000	1	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[5a]N[5a]2)(COO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(COO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8273	0.092	3	107.8273	0.009	3	108.0064	1.177	332	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	107.8240	0.662	2	107.8240	0.438	2	108.7295	2.548	35	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]2)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]2)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	108.0535	0.080	2	108.0535	0.006	2	108.7295	2.548	35	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	107.9737	0.219	20	107.9737	0.048	20	108.7295	2.548	35	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	107.8845	0.227	2	107.8845	0.052	2	108.7295	2.548	35	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]N[5]S[5])(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]N[5]S[5])(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	108.1030	0.000	1	108.1030	0.000	1	108.7295	2.548	35	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]N[5a]2)(C[5]N[5]2)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	C(N[5a]N[5a]2)(C[5]N[5]2)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	111.3038	1.532	8	111.3038	2.346	8	108.7295	2.548	35	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	C(N[5a]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	109.3980	0.000	1	109.3980	0.000	1	108.1545	1.259	21	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	108.5719	1.857	7	108.5719	3.448	7	108.1545	1.259	21	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	107.9200	0.000	1	107.9200	0.000	1	108.1545	1.259	21	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]S[5a])(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]S[5a])(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	107.8730	0.000	1	107.8730	0.000	1	108.1545	1.259	21	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]2)(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]2)(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	107.9040	0.000	1	107.9040	0.000	1	108.1545	1.259	21	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	107.9470	0.000	1	107.9470	0.000	1	108.1545	1.259	21	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[5a]N[5a]O[5a])(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[5a]N[5a]O[5a])(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	107.9580	0.000	1	107.9580	0.000	1	108.1545	1.259	21	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5a]C[5a]2)(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[5a]C[5a]2)(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	107.7585	0.012	2	107.7585	0.000	2	108.1545	1.259	21	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	H(CC[5a]N[5a]H)	H(CC[5a]N[5a]H)	107.7873	0.255	6	107.7873	0.065	6	108.1545	1.259	21	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(C[6]C[5a,6]N[6])(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	C(N[5a]C[5a,6]C[5a])(C[6]C[5a,6]N[6])(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	109.2970	0.000	1	109.2970	0.000	1	108.1295	0.443	17	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	109.0443	0.930	3	109.0443	0.864	3	108.1295	0.443	17	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]N[6])(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]N[6])(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	107.9770	0.000	1	107.9770	0.000	1	108.1295	0.443	17	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	107.7643	0.203	4	107.7643	0.041	4	108.1295	0.443	17	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]2)(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	C(N[5a]C[5a]N[5a])(C[6]C[6]2)(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	107.6840	0.000	1	107.6840	0.000	1	108.1295	0.443	17	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	107.8647	0.142	7	107.8647	0.020	7	108.1295	0.443	17	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	107.8187	0.301	4	107.8187	0.090	4	107.8725	0.450	773	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	107.7060	0.210	3	107.7060	0.044	3	107.8725	0.450	773	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]N[6a])(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]N[6a])(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	107.6650	0.000	1	107.6650	0.000	1	107.8725	0.450	773	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	108.1130	0.000	1	108.1130	0.000	1	107.8725	0.450	773	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	107.6175	0.701	11	107.6175	0.491	11	107.8725	0.450	773	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	107.7883	0.139	11	107.7883	0.019	11	107.8725	0.450	773	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	107.6599	0.228	45	107.6599	0.052	45	107.8725	0.450	773	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]As[5a])(C[6a]C[6a]N[6a])(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]As[5a])(C[6a]C[6a]N[6a])(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	107.6400	0.000	1	107.6400	0.000	1	107.8725	0.450	773	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	107.8180	0.141	4	107.8180	0.020	4	107.8725	0.450	773	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	107.9192	0.912	16	107.9192	0.832	16	107.8725	0.450	773	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	107.8414	0.835	274	107.8414	0.697	274	107.8725	0.450	773	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	107.6607	0.744	9	107.6607	0.553	9	107.8725	0.450	773	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]N[6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]N[6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	107.7310	0.000	1	107.7310	0.000	1	107.8725	0.450	773	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	107.7993	0.341	46	107.7993	0.117	46	107.8725	0.450	773	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	107.6555	0.040	2	107.6555	0.002	2	107.8725	0.450	773	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	107.8605	0.190	4	107.8605	0.036	4	107.8725	0.450	773	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[5a]H)	H(CC[6a]N[5a]H)	107.9552	0.596	340	107.9552	0.356	340	107.8725	0.450	773	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]2)(NCC)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	C(N[5a]C[5a,6a]2)(NCC)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	107.8725	0.152	2	107.8725	0.023	2	109.3246	7.088	42	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(NCC)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	C(N[5a]C[5a,6a]C[5a])(NCC)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	107.7320	0.412	2	107.7320	0.169	2	109.3246	7.088	42	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	107.7160	0.000	1	107.7160	0.000	1	109.3246	7.088	42	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(NCC)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	C(N[5a]C[5a,6a]N[5a])(NCC)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	107.3870	0.000	1	107.3870	0.000	1	109.3246	7.088	42	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(NC[5a]C)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	C(N[5a]C[5a,6a]N[5a])(NC[5a]C)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	107.6040	0.065	2	107.6040	0.004	2	109.3246	7.088	42	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(NC[5a]H)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	C(N[5a]C[5a,6a]N[5a])(NC[5a]H)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	107.7160	0.000	1	107.7160	0.000	1	109.3246	7.088	42	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	107.6960	0.000	1	107.6960	0.000	1	109.3246	7.088	42	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(NCN)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	C(N[5a]C[5a]2)(NCN)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	110.4693	1.345	4	110.4693	1.810	4	109.3246	7.088	42	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(NCC)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	C(N[5a]C[5a]N[5a])(NCC)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	107.9008	0.260	5	107.9008	0.067	5	109.3246	7.088	42	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(NCN)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	C(N[5a]C[5a]N[5a])(NCN)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	112.0110	3.196	10	112.0110	10.211	10	109.3246	7.088	42	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(NC[6a]H)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	C(N[5a]C[5a]N[5a])(NC[6a]H)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	107.7420	0.202	3	107.7420	0.041	3	109.3246	7.088	42	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(NOO)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	C(N[5a]C[5a]N[5a])(NOO)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	110.0540	3.416	3	110.0540	11.669	3	109.3246	7.088	42	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]S[5a])(NC[6a]H)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	C(N[5a]C[5a]S[5a])(NC[6a]H)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	107.6690	0.000	1	107.6690	0.000	1	109.3246	7.088	42	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(N[5a]N[5a]2)(NCC)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	C(N[5a]N[5a]2)(NCC)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	107.5266	0.119	5	107.5266	0.014	5	109.3246	7.088	42	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N-3:H-1:H-1:	C-4:	C-4:	C(N[5a]N[5a]2)(NOO)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	C(N[5a]N[5a]2)(NOO)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	114.5190	0.000	1	114.5190	0.000	1	109.3246	7.088	42	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	H(CN[5a]N[5]H)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	H(CN[5a]N[5]H)	H(CN[5a]N[5]H)	107.9775	0.241	2	107.9775	0.058	2	107.8575	0.066	28	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6]C[5])(H)2	H(CN[5a]N[5]H)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6]C[5])(H)2	H(CN[5a]N[5]H)	H(CN[5a]N[5]H)	107.3130	0.000	1	107.3130	0.000	1	107.8575	0.066	28	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	H(CN[5a]N[5]H)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	H(CN[5a]N[5]H)	H(CN[5a]N[5]H)	107.7007	0.364	4	107.7007	0.133	4	107.8575	0.066	28	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	H(CN[5a]N[5]H)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	H(CN[5a]N[5]H)	H(CN[5a]N[5]H)	107.8251	0.157	10	107.8251	0.025	10	107.8575	0.066	28	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]N[5])(H)2	H(CN[5a]N[5]H)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]N[5])(H)2	H(CN[5a]N[5]H)	H(CN[5a]N[5]H)	107.7045	0.118	2	107.7045	0.014	2	107.8575	0.066	28	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	H(CN[5a]N[5]H)	H(CN[5a]N[5]H)	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	H(CN[5a]N[5]H)	H(CN[5a]N[5]H)	108.0710	0.234	5	108.0710	0.055	5	107.8575	0.066	28	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	H(CN[5a]N[5]H)	H(CN[5a]N[5]H)	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	H(CN[5a]N[5]H)	H(CN[5a]N[5]H)	107.9813	0.183	4	107.9813	0.034	4	107.8575	0.066	28	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6]C[5a])2(H)2	H(CN[5a]2H)	H(CN[5a]2H)	C(N[5a]C[5a,6]C[5a])2(H)2	H(CN[5a]2H)	H(CN[5a]2H)	110.0500	3.783	3	110.0500	14.308	3	108.7281	3.754	31	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]2)2(H)2	H(CN[5a]2H)	H(CN[5a]2H)	C(N[5a]C[5a,6a]2)2(H)2	H(CN[5a]2H)	H(CN[5a]2H)	107.8330	0.000	1	107.8330	0.000	1	108.7281	3.754	31	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]N[5a])(H)2	H(CN[5a]2H)	H(CN[5a]2H)	C(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]N[5a])(H)2	H(CN[5a]2H)	H(CN[5a]2H)	109.0420	0.000	1	109.0420	0.000	1	108.7281	3.754	31	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])2(H)2	H(CN[5a]2H)	H(CN[5a]2H)	C(N[5a]C[5a,6a]C[5a])2(H)2	H(CN[5a]2H)	H(CN[5a]2H)	108.6937	1.449	3	108.6937	2.100	3	108.7281	3.754	31	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)2(H)2	H(CN[5a]2H)	H(CN[5a]2H)	C(N[5a]C[5a]2)2(H)2	H(CN[5a]2H)	H(CN[5a]2H)	107.8880	0.177	6	107.8880	0.031	6	108.7281	3.754	31	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])2(H)2	H(CN[5a]2H)	H(CN[5a]2H)	C(N[5a]C[5a]N[5a])2(H)2	H(CN[5a]2H)	H(CN[5a]2H)	108.5126	1.662	16	108.5126	2.761	16	108.7281	3.754	31	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]N[5a]2)2(H)2	H(CN[5a]2H)	H(CN[5a]2H)	C(N[5a]N[5a]2)2(H)2	H(CN[5a]2H)	H(CN[5a]2H)	113.9350	0.000	1	113.9350	0.000	1	108.7281	3.754	31	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(H)2	H(CN[5a]N[6]H)	H(CN[5a]N[6]H)	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(H)2	H(CN[5a]N[6]H)	H(CN[5a]N[6]H)	108.3963	0.574	3	108.3963	0.329	3	108.4389	1.526	13	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[6]C[6]2)(H)2	H(CN[5a]N[6]H)	H(CN[5a]N[6]H)	C(N[5a]C[5a,6a]N[5a])(N[6]C[6]2)(H)2	H(CN[5a]N[6]H)	H(CN[5a]N[6]H)	107.4240	0.000	1	107.4240	0.000	1	108.4389	1.526	13	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	H(CN[5a]N[6]H)	H(CN[5a]N[6]H)	C(N[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	H(CN[5a]N[6]H)	H(CN[5a]N[6]H)	107.8040	0.392	2	107.8040	0.153	2	108.4389	1.526	13	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	H(CN[5a]N[6]H)	H(CN[5a]N[6]H)	C(N[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	H(CN[5a]N[6]H)	H(CN[5a]N[6]H)	107.2260	0.000	1	107.2260	0.000	1	108.4389	1.526	13	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	H(CN[5a]N[6]H)	H(CN[5a]N[6]H)	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	H(CN[5a]N[6]H)	H(CN[5a]N[6]H)	109.3760	1.472	5	109.3760	2.168	5	108.4389	1.526	13	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]N[5a]2)(N[6]C[6]2)(H)2	H(CN[5a]N[6]H)	H(CN[5a]N[6]H)	C(N[5a]N[5a]2)(N[6]C[6]2)(H)2	H(CN[5a]N[6]H)	H(CN[5a]N[6]H)	107.3790	0.000	1	107.3790	0.000	1	108.4389	1.526	13	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:N[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	H(CN[5a]N[6a]H)	H(CN[5a]N[6a]H)	C(N[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	H(CN[5a]N[6a]H)	H(CN[5a]N[6a]H)	111.9130	0.000	1	111.9130	0.000	1	111.9130	0.000	1	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:P-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PCC)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PCC)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	107.5650	0.020	2	107.5650	0.000	2	107.7482	0.035	5	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:P-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PC[6]2)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PC[6]2)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	107.9720	0.000	1	107.9720	0.000	1	107.7482	0.035	5	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[5a]-3:P-3:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PC[6a]2)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PC[6a]2)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	107.8195	0.108	2	107.8195	0.012	2	107.7482	0.035	5	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	H(CN[6,6]C[6a]H)	H(CN[6,6]C[6a]H)	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	H(CN[6,6]C[6a]H)	H(CN[6,6]C[6a]H)	107.7654	0.105	5	107.7654	0.011	5	107.9110	0.128	14	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6,6]C[4,3x6]C[3x6])(C[6a]C[6a]2)(H)2	H(CN[6,6]C[6a]H)	H(CN[6,6]C[6a]H)	C(N[6,6]C[4,3x6]C[3x6])(C[6a]C[6a]2)(H)2	H(CN[6,6]C[6a]H)	H(CN[6,6]C[6a]H)	107.7240	0.000	1	107.7240	0.000	1	107.9110	0.128	14	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	H(CN[6,6]C[6a]H)	H(CN[6,6]C[6a]H)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	H(CN[6,6]C[6a]H)	H(CN[6,6]C[6a]H)	108.0254	0.443	8	108.0254	0.196	8	107.9110	0.128	14	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]B[6]C[6])(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]B[6]C[6])(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.1130	0.000	1	108.1130	0.000	1	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[3x6]C[6])(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[3x6]C[6])(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.6500	0.000	1	107.6500	0.000	1	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]2)(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6]2)(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7680	0.000	1	107.7680	0.000	1	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]C[6])(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.6385	0.251	2	107.6385	0.063	2	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]2)(CHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	109.4060	0.000	1	109.4060	0.000	1	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[5,6])(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]C[5,6])(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7720	0.000	1	107.7720	0.000	1	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.8930	0.279	2	107.8930	0.078	2	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCI)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCI)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.5480	0.000	1	107.5480	0.000	1	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(CNO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CNO)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.8980	0.000	1	107.8980	0.000	1	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(COO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(COO)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.4015	0.719	6	107.4015	0.517	6	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(CSS)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CSS)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.5410	0.000	1	107.5410	0.000	1	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]S[6])(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]S[6])(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.4020	0.112	3	107.4020	0.013	3	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CCC)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CCC)(H)2	H(CN[6]CH)	H(CN[6]CH)	109.2245	1.966	2	109.2245	3.867	2	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.1880	0.880	24	108.1880	0.775	24	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CCN)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CCN)(H)2	H(CN[6]CH)	H(CN[6]CH)	109.3707	2.144	3	109.3707	4.595	3	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CCO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CCO)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.0690	0.000	1	108.0690	0.000	1	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CC[3x6]O)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[3x6]O)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.9705	0.351	2	107.9705	0.124	2	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CC[5a]N)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[5a]N)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.8410	0.000	1	107.8410	0.000	1	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CC[6a]N)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]N)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.9463	0.166	3	107.9463	0.028	3	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CC[6a]O)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]O)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.0029	0.241	15	108.0029	0.058	15	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.2330	0.000	1	107.2330	0.000	1	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CNO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CNO)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.0525	1.470	32	108.0525	2.161	32	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CN[5]O)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CN[5]O)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.0830	0.000	1	108.0830	0.000	1	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CN[6]O)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CN[6]O)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.5337	0.647	6	107.5337	0.418	6	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(COO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(COO)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.9139	0.521	62	107.9139	0.271	62	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CSS)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CSS)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.6344	0.150	16	107.6344	0.022	16	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]S[6])(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]S[6])(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.8320	0.133	3	107.8320	0.018	3	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]S[6])(CCO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]S[6])(CCO)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.5640	0.000	1	107.5640	0.000	1	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]S[6])(CC[6a]O)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]S[6])(CC[6a]O)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.9713	0.424	6	107.9713	0.180	6	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]S[6])(COO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]S[6])(COO)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.5830	0.167	2	107.5830	0.028	2	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]N[5,6]C[6])(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]N[5,6]C[6])(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	113.4630	0.000	1	113.4630	0.000	1	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]N[5a,6]C[6])(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]N[5a,6]C[6])(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.5480	0.000	1	108.5480	0.000	1	107.9768	0.850	204	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[5a]N[5a]2)(H)2	H(CC[5a]N[6]H)	H(CC[5a]N[6]H)	C(N[6]C[6,6a]C[6])(C[5a]N[5a]2)(H)2	H(CC[5a]N[6]H)	H(CC[5a]N[6]H)	107.7500	0.000	1	107.7500	0.000	1	107.9355	0.069	2	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]S[6])(C[5a]N[5a]2)(H)2	H(CC[5a]N[6]H)	H(CC[5a]N[6]H)	C(N[6]C[6]S[6])(C[5a]N[5a]2)(H)2	H(CC[5a]N[6]H)	H(CC[5a]N[6]H)	108.1210	0.000	1	108.1210	0.000	1	107.9355	0.069	2	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	108.9923	2.075	6	108.9923	4.307	6	107.8842	1.038	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[3,6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[3,6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.3970	0.000	1	107.3970	0.000	1	107.8842	1.038	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[4,6,6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[4,6,6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.5540	0.243	2	107.5540	0.059	2	107.8842	1.038	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[5,3x6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[5,3x6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.5530	0.000	1	107.5530	0.000	1	107.8842	1.038	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.4260	0.000	1	107.4260	0.000	1	107.8842	1.038	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.8310	0.422	40	107.8310	0.178	40	107.8842	1.038	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[5,6]N[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[5,6]N[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.6470	0.122	2	107.6470	0.015	2	107.8842	1.038	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.7709	0.158	14	107.7709	0.025	14	107.8842	1.038	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.9929	0.712	25	107.9929	0.507	25	107.8842	1.038	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]S[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[6,6]S[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	108.0300	0.103	2	108.0300	0.011	2	107.8842	1.038	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.0300	0.493	5	107.0300	0.243	5	107.8842	1.038	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]B[6,6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]B[6,6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.3630	0.000	1	107.3630	0.000	1	107.8842	1.038	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.5108	0.106	6	107.5108	0.011	6	107.8842	1.038	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]N[6a])(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]N[6a])(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.7390	0.000	1	107.7390	0.000	1	107.8842	1.038	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.4647	0.182	3	107.4647	0.033	3	107.8842	1.038	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.9528	1.439	83	107.9528	2.070	83	107.8842	1.038	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.7640	0.000	1	107.7640	0.000	1	107.8842	1.038	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.7007	0.128	6	107.7007	0.016	6	107.8842	1.038	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.9253	0.269	8	107.9253	0.072	8	107.8842	1.038	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]P[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[6]P[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.5350	1.000	4	107.5350	1.000	4	107.8842	1.038	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.9162	0.253	18	107.9162	0.064	18	107.8842	1.038	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]N[5a,6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]N[5a,6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	108.5300	0.000	1	108.5300	0.000	1	107.8842	1.038	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	108.1021	1.635	7	108.1021	2.672	7	107.8842	1.038	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]Si[6,6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]Si[6,6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.4715	0.019	2	107.4715	0.000	2	107.8842	1.038	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]Si[6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]Si[6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.4690	0.000	1	107.4690	0.000	1	107.8842	1.038	241	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(NCH)(H)2	H(CN[6]HN)	H(CN[6]HN)	C(N[6]C[6]2)(NCH)(H)2	H(CN[6]HN)	H(CN[6]HN)	107.7375	0.009	2	107.7375	0.000	2	108.4981	5.967	10	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(NC[4]C)(H)2	H(CN[6]HN)	H(CN[6]HN)	C(N[6]C[6]2)(NC[4]C)(H)2	H(CN[6]HN)	H(CN[6]HN)	107.6723	0.119	4	107.6723	0.014	4	108.4981	5.967	10	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(NC[6a]H)(H)2	H(CN[6]HN)	H(CN[6]HN)	C(N[6]C[6]2)(NC[6a]H)(H)2	H(CN[6]HN)	H(CN[6]HN)	107.7903	0.007	3	107.7903	0.000	3	108.4981	5.967	10	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:N-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(NNiC)(H)2	H(CN[6]HN)	H(CN[6]HN)	C(N[6]C[6]2)(NNiC)(H)2	H(CN[6]HN)	H(CN[6]HN)	115.4460	0.000	1	115.4460	0.000	1	108.4981	5.967	10	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6,6])(N[5]C[5]2)(H)2	H(CN[5]N[6]H)	H(CN[5]N[6]H)	C(N[6]C[6,6a]C[6,6])(N[5]C[5]2)(H)2	H(CN[5]N[6]H)	H(CN[5]N[6]H)	107.8130	0.000	1	107.8130	0.000	1	107.8750	0.003	3	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(N[5]C[5]N[5])(H)2	H(CN[5]N[6]H)	H(CN[5]N[6]H)	C(N[6]C[6,6a]C[6])(N[5]C[5]N[5])(H)2	H(CN[5]N[6]H)	H(CN[5]N[6]H)	107.9060	0.033	2	107.9060	0.001	2	107.8750	0.003	3	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]C[6])2(H)2	H(CN[6]2H)	H(CN[6]2H)	C(N[6]C[6,6]C[6])2(H)2	H(CN[6]2H)	H(CN[6]2H)	107.5543	1.270	23	107.5543	1.612	23	108.3869	6.324	44	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)2(H)2	H(CN[6]2H)	H(CN[6]2H)	C(N[6]C[6]2)2(H)2	H(CN[6]2H)	H(CN[6]2H)	109.2989	3.186	21	109.2989	10.153	21	108.3869	6.324	44	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:P-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(PC[6a]2)(H)2	H(CN[6]HP)	H(CN[6]HP)	C(N[6]C[6,6a]C[6])(PC[6a]2)(H)2	H(CN[6]HP)	H(CN[6]HP)	109.7265	0.112	2	109.7265	0.013	2	108.2109	0.903	8	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6]-3:P-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(PCC)(H)2	H(CN[6]HP)	H(CN[6]HP)	C(N[6]C[6]2)(PCC)(H)2	H(CN[6]HP)	H(CN[6]HP)	107.7057	0.191	6	107.7057	0.037	6	108.2109	0.903	8	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6a]C[5,6a]C[6a])(CNO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[5,6a]C[6a])(CNO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.9985	0.081	2	107.9985	0.007	2	108.0550	0.799	105	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(CCH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[5a,6a]C[6a])(CCH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.6830	0.000	1	107.6830	0.000	1	108.0550	0.799	105	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(COO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[5a,6a]C[6a])(COO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	108.3590	0.614	2	108.3590	0.377	2	108.0550	0.799	105	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]2)(CHN)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CHN)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.8790	0.055	2	107.8790	0.003	2	108.0550	0.799	105	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]2)(COO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(COO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.5013	0.629	3	107.5013	0.395	3	108.0550	0.799	105	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CCH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CCH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.3680	0.598	4	107.3680	0.358	4	108.0550	0.799	105	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CNO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CNO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.9430	0.000	1	107.9430	0.000	1	108.0550	0.799	105	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(COO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(COO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	108.7663	1.657	3	108.7663	2.746	3	108.0550	0.799	105	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(CCH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.9419	0.107	19	107.9419	0.011	19	108.0550	0.799	105	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(CCO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.8553	0.296	3	107.8553	0.088	3	108.0550	0.799	105	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(CC[6a]O)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CC[6a]O)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.8893	0.167	9	107.8893	0.028	9	108.0550	0.799	105	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(CNO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CNO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	108.2734	0.613	11	108.2734	0.376	11	108.0550	0.799	105	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(COO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(COO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	108.2108	1.293	39	108.2108	1.673	39	108.0550	0.799	105	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6a]-3:C-3:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]N[6a])(COO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a]N[6a])(COO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.7838	0.172	6	107.7838	0.029	6	108.0550	0.799	105	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6a]-3:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)2	H(CC[5a]N[6a]H)	H(CC[5a]N[6a]H)	C(N[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)2	H(CC[5a]N[6a]H)	H(CC[5a]N[6a]H)	107.8880	0.993	3	107.8880	0.986	3	107.8880	0.986	3	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6a]-3:C[6]-3:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(C[6]C[6]2)(H)2	H(CN[6a]C[6]H)	H(CN[6a]C[6]H)	C(N[6a]C[6a]2)(C[6]C[6]2)(H)2	H(CN[6a]C[6]H)	H(CN[6a]C[6]H)	108.0165	0.144	2	108.0165	0.021	2	108.0165	0.021	2	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6a]B[6a]C[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6a]H)	H(CC[6a]N[6a]H)	C(N[6a]B[6a]C[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6a]H)	H(CC[6a]N[6a]H)	108.5600	0.000	1	108.5600	0.000	1	107.7996	0.437	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6a]H)	H(CC[6a]N[6a]H)	C(N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6a]H)	H(CC[6a]N[6a]H)	107.5533	0.187	4	107.5533	0.035	4	107.7996	0.437	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6a]H)	H(CC[6a]N[6a]H)	C(N[6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6a]H)	H(CC[6a]N[6a]H)	107.7610	0.000	1	107.7610	0.000	1	107.7996	0.437	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6a]H)	H(CC[6a]N[6a]H)	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6a]H)	H(CC[6a]N[6a]H)	107.8230	0.121	7	107.8230	0.015	7	107.7996	0.437	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]B[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6a]H)	H(CC[6a]N[6a]H)	C(N[6a]C[6a,6a]B[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6a]H)	H(CC[6a]N[6a]H)	107.5315	0.097	4	107.5315	0.009	4	107.7996	0.437	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6a]H)	H(CC[6a]N[6a]H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6a]H)	H(CC[6a]N[6a]H)	107.7525	0.790	34	107.7525	0.623	34	107.7996	0.437	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	H(CC[6a]N[6a]H)	H(CC[6a]N[6a]H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	H(CC[6a]N[6a]H)	H(CC[6a]N[6a]H)	107.5230	0.000	1	107.5230	0.000	1	107.7996	0.437	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6a]H)	H(CC[6a]N[6a]H)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]N[6a]H)	H(CC[6a]N[6a]H)	108.1048	0.640	10	108.1048	0.410	10	107.7996	0.437	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6a]-3:N[5]-3:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(N[5]C[5]2)(H)2	H(CN[6a]N[5]H)	H(CN[6a]N[5]H)	C(N[6a]C[6a]2)(N[5]C[5]2)(H)2	H(CN[6a]N[5]H)	H(CN[6a]N[5]H)	107.8560	0.000	1	107.8560	0.000	1	107.8560	0.000	1	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	N[6a]-3:N[6]-3:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	H(CN[6a]N[6]H)	H(CN[6a]N[6]H)	C(N[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	H(CN[6a]N[6]H)	H(CN[6a]N[6]H)	107.2840	0.000	1	107.2840	0.000	1	107.2840	0.000	1	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	O-3:C-3:H-1:H-1:	C-4:	C-4:	C(OC[6a]Co)(COO)(H)2	H(CCHO)	H(CCHO)	C(OC[6a]Co)(COO)(H)2	H(CCHO)	H(CCHO)	108.3540	0.331	2	108.3540	0.110	2	108.8865	11.159	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	O-3:C-3:H-1:H-1:	C-4:	C-4:	C(OC[6a]Ni)(COO)(H)2	H(CCHO)	H(CCHO)	C(OC[6a]Ni)(COO)(H)2	H(CCHO)	H(CCHO)	108.2055	0.072	4	108.2055	0.005	4	108.8865	11.159	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	O-3:C-3:H-1:H-1:	C-4:	C-4:	C(OCaC)(CHN)(H)2	H(CCHO)	H(CCHO)	C(OCaC)(CHN)(H)2	H(CCHO)	H(CCHO)	105.9010	0.000	1	105.9010	0.000	1	108.8865	11.159	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	O-3:C-3:H-1:H-1:	C-4:	C-4:	C(OCaC)(CHO)(H)2	H(CCHO)	H(CCHO)	C(OCaC)(CHO)(H)2	H(CCHO)	H(CCHO)	117.2545	5.334	2	117.2545	28.448	2	108.8865	11.159	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	O-3:C-3:H-1:H-1:	C-4:	C-4:	C(OCdC)(COO)(H)2	H(CCHO)	H(CCHO)	C(OCdC)(COO)(H)2	H(CCHO)	H(CCHO)	108.1090	0.054	2	108.1090	0.003	2	108.8865	11.159	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	O-3:C-3:H-1:H-1:	C-4:	C-4:	C(OCoC)(COO)(H)2	H(CCHO)	H(CCHO)	C(OCoC)(COO)(H)2	H(CCHO)	H(CCHO)	108.2719	0.250	11	108.2719	0.062	11	108.8865	11.159	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	O-3:C-3:H-1:H-1:	C-4:	C-4:	C(OCoH)(COO)(H)2	H(CCHO)	H(CCHO)	C(OCoH)(COO)(H)2	H(CCHO)	H(CCHO)	108.1790	0.116	2	108.1790	0.013	2	108.8865	11.159	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	O-3:C-3:H-1:H-1:	C-4:	C-4:	C(OCuC)(COO)(H)2	H(CCHO)	H(CCHO)	C(OCuC)(COO)(H)2	H(CCHO)	H(CCHO)	110.5383	1.927	20	110.5383	3.715	20	108.8865	11.159	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	O-3:C-3:H-1:H-1:	C-4:	C-4:	C(OCuH)(CHN)(H)2	H(CCHO)	H(CCHO)	C(OCuH)(CHN)(H)2	H(CCHO)	H(CCHO)	104.5680	0.000	1	104.5680	0.000	1	108.8865	11.159	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	O-3:C-3:H-1:H-1:	C-4:	C-4:	C(OCuH)(COO)(H)2	H(CCHO)	H(CCHO)	C(OCuH)(COO)(H)2	H(CCHO)	H(CCHO)	108.0960	0.116	3	108.0960	0.013	3	108.8865	11.159	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	O-3:C-3:H-1:H-1:	C-4:	C-4:	C(OMgC)(CHO)(H)2	H(CCHO)	H(CCHO)	C(OMgC)(CHO)(H)2	H(CCHO)	H(CCHO)	108.5520	0.000	1	108.5520	0.000	1	108.8865	11.159	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	O-3:C-3:H-1:H-1:	C-4:	C-4:	C(OMgH)(COO)(H)2	H(CCHO)	H(CCHO)	C(OMgH)(COO)(H)2	H(CCHO)	H(CCHO)	104.2140	0.000	1	104.2140	0.000	1	108.8865	11.159	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	O-3:C-3:H-1:H-1:	C-4:	C-4:	C(ONiC)(COO)(H)2	H(CCHO)	H(CCHO)	C(ONiC)(COO)(H)2	H(CCHO)	H(CCHO)	108.1430	1.163	8	108.1430	1.353	8	108.8865	11.159	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	O-3:C-3:H-1:H-1:	C-4:	C-4:	C(ONiH)(CHH)(H)2	H(CCHO)	H(CCHO)	C(ONiH)(CHH)(H)2	H(CCHO)	H(CCHO)	111.7070	0.000	1	111.7070	0.000	1	108.8865	11.159	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	O-3:C-3:H-1:H-1:	C-4:	C-4:	C(ORu2)(CHH)(H)2	H(CCHO)	H(CCHO)	C(ORu2)(CHH)(H)2	H(CCHO)	H(CCHO)	91.4653	0.000	1	91.4653	0.000	1	108.8865	11.159	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	O-3:C-3:H-1:H-1:	C-4:	C-4:	C(OSrC)(CHN)(H)2	H(CCHO)	H(CCHO)	C(OSrC)(CHN)(H)2	H(CCHO)	H(CCHO)	108.6920	0.000	1	108.6920	0.000	1	108.8865	11.159	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	O-3:C-3:H-1:H-1:	C-4:	C-4:	C(OSrC)(COO)(H)2	H(CCHO)	H(CCHO)	C(OSrC)(COO)(H)2	H(CCHO)	H(CCHO)	108.0610	0.000	1	108.0610	0.000	1	108.8865	11.159	62	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	P-3:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2)(CC[6]N)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2)(CC[6]N)(H)2	H(CCHP)	H(CCHP)	108.3850	0.000	1	108.3850	0.000	1	107.9332	0.275	5	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	P-3:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2)(CHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2)(CHP)(H)2	H(CCHP)	H(CCHP)	108.2570	0.066	2	108.2570	0.004	2	107.9332	0.275	5	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	P-3:C-3:H-1:H-1:	C-4:	C-4:	C(PClC)(CCN)(H)2	H(CCHP)	H(CCHP)	C(PClC)(CCN)(H)2	H(CCHP)	H(CCHP)	107.3835	0.276	2	107.3835	0.076	2	107.9332	0.275	5	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	P-3:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6]C)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[6]C)(NCC)(H)2	H(CHNP)	H(CHNP)	106.9900	0.000	1	106.9900	0.000	1	107.9507	1.644	20	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	P-3:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2)(NCC)(H)2	H(CHNP)	H(CHNP)	107.6110	0.000	1	107.6110	0.000	1	107.9507	1.644	20	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	P-3:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]C)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]C)(NCC)(H)2	H(CHNP)	H(CHNP)	108.0229	1.331	18	108.0229	1.770	18	107.9507	1.644	20	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	P-3:P-3:H-1:H-1:	C-4:	C-4:	C(PC[6]2)(PCC)(H)2	H(CHPP)	H(CHPP)	C(PC[6]2)(PCC)(H)2	H(CHPP)	H(CHPP)	106.8850	0.000	1	106.8850	0.000	1	108.3201	1.262	7	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	P-3:P-3:H-1:H-1:	C-4:	C-4:	C(PC[6]2)2(H)2	H(CHPP)	H(CHPP)	C(PC[6]2)2(H)2	H(CHPP)	H(CHPP)	110.2870	0.000	1	110.2870	0.000	1	108.3201	1.262	7	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	P-3:P-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2)(PCC)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2)(PCC)(H)2	H(CHPP)	H(CHPP)	108.2490	0.000	1	108.2490	0.000	1	108.3201	1.262	7	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	P-3:P-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2)2(H)2	H(CHPP)	H(CHPP)	108.5640	0.139	3	108.5640	0.019	3	108.3201	1.262	7	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	P-3:P-3:H-1:H-1:	C-4:	C-4:	C(PClS)2(H)2	H(CHPP)	H(CHPP)	C(PClS)2(H)2	H(CHPP)	H(CHPP)	107.1280	0.000	1	107.1280	0.000	1	108.3201	1.262	7	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	P-3:S-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2)(SNN)(H)2	H(CHPS)	H(CHPS)	C(PC[6a]2)(SNN)(H)2	H(CHPS)	H(CHPS)	107.7190	0.000	1	107.7190	0.000	1	107.7190	0.000	1	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	P[5]-3:C-3:H-1:H-1:	C-4:	C-4:	C(P[5]C[5]P[5])(CCN)(H)2	H(CP[5]CH)	H(CP[5]CH)	C(P[5]C[5]P[5])(CCN)(H)2	H(CP[5]CH)	H(CP[5]CH)	107.3720	0.000	1	107.3720	0.000	1	107.3720	0.000	1	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	P[5]-3:N-3:H-1:H-1:	C-4:	C-4:	C(P[5]C[5]2)(NCC)(H)2	H(CP[5]HN)	H(CP[5]HN)	C(P[5]C[5]2)(NCC)(H)2	H(CP[5]HN)	H(CP[5]HN)	108.3130	0.000	1	108.3130	0.000	1	108.3130	0.000	1	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	P[5]-3:P-3:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6a]2)(PC[6a]2)(H)2	H(CP[5]HP)	H(CP[5]HP)	C(P[5]C[5,6a]2)(PC[6a]2)(H)2	H(CP[5]HP)	H(CP[5]HP)	108.1230	0.267	2	108.1230	0.071	2	108.1230	0.071	2	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	P[5]-3:P[5]-3:H-1:H-1:	C-4:	C-4:	C(P[5]C[5]2)2(H)2	H(CP[5]2H)	H(CP[5]2H)	C(P[5]C[5]2)2(H)2	H(CP[5]2H)	H(CP[5]2H)	107.3190	0.000	1	107.3190	0.000	1	107.3190	0.000	1	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SC[3x3,3x5,12x6]Co)(COO)(H)2	H(CCHS)	H(CCHS)	C(SC[3x3,3x5,12x6]Co)(COO)(H)2	H(CCHS)	H(CCHS)	107.8609	0.406	7	107.8609	0.165	7	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SC[3x3,4,3x5,14x6]Co)(COO)(H)2	H(CCHS)	H(CCHS)	C(SC[3x3,4,3x5,14x6]Co)(COO)(H)2	H(CCHS)	H(CCHS)	107.9980	0.000	1	107.9980	0.000	1	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SC[5,6]C)(CCH)(H)2	H(CCHS)	H(CCHS)	C(SC[5,6]C)(CCH)(H)2	H(CCHS)	H(CCHS)	107.6720	0.000	1	107.6720	0.000	1	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SC[5]Cu)(CCH)(H)2	H(CCHS)	H(CCHS)	C(SC[5]Cu)(CCH)(H)2	H(CCHS)	H(CCHS)	112.9610	0.000	1	112.9610	0.000	1	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SC[5a]O)(CCH)(H)2	H(CCHS)	H(CCHS)	C(SC[5a]O)(CCH)(H)2	H(CCHS)	H(CCHS)	107.9653	0.227	3	107.9653	0.052	3	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SC[5x3,5x5,20x6]Co)(COO)(H)2	H(CCHS)	H(CCHS)	C(SC[5x3,5x5,20x6]Co)(COO)(H)2	H(CCHS)	H(CCHS)	107.8500	0.000	1	107.8500	0.000	1	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6a]Ir)(CCH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Ir)(CCH)(H)2	H(CCHS)	H(CCHS)	107.9850	0.000	1	107.9850	0.000	1	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6a]O)(CNO)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]O)(CNO)(H)2	H(CCHS)	H(CCHS)	108.1403	0.282	3	108.1403	0.080	3	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6a]O)(CN[5]O)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]O)(CN[5]O)(H)2	H(CCHS)	H(CCHS)	108.3440	0.000	1	108.3440	0.000	1	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6a]O)(COO)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]O)(COO)(H)2	H(CCHS)	H(CCHS)	108.4243	0.069	3	108.4243	0.005	3	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SCdC)(COO)(H)2	H(CCHS)	H(CCHS)	C(SCdC)(COO)(H)2	H(CCHS)	H(CCHS)	107.1345	0.086	2	107.1345	0.007	2	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SCoC)(COO)(H)2	H(CCHS)	H(CCHS)	C(SCoC)(COO)(H)2	H(CCHS)	H(CCHS)	107.6998	0.796	12	107.6998	0.634	12	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SCuC)(CCH)(H)2	H(CCHS)	H(CCHS)	C(SCuC)(CCH)(H)2	H(CCHS)	H(CCHS)	110.5840	0.000	1	110.5840	0.000	1	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SCuC)(COO)(H)2	H(CCHS)	H(CCHS)	C(SCuC)(COO)(H)2	H(CCHS)	H(CCHS)	107.1877	0.164	4	107.1877	0.027	4	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SFe2)(CCO)(H)2	H(CCHS)	H(CCHS)	C(SFe2)(CCO)(H)2	H(CCHS)	H(CCHS)	107.9582	0.153	4	107.9582	0.023	4	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SFe2)(COO)(H)2	H(CCHS)	H(CCHS)	C(SFe2)(COO)(H)2	H(CCHS)	H(CCHS)	108.4170	0.000	1	108.4170	0.000	1	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SMnMo)(CCS)(H)2	H(CCHS)	H(CCHS)	C(SMnMo)(CCS)(H)2	H(CCHS)	H(CCHS)	107.8650	0.006	2	107.8650	0.000	2	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SMoC)(COO)(H)2	H(CCHS)	H(CCHS)	C(SMoC)(COO)(H)2	H(CCHS)	H(CCHS)	107.9680	0.000	1	107.9680	0.000	1	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SNi2)(CNO)(H)2	H(CCHS)	H(CCHS)	C(SNi2)(CNO)(H)2	H(CCHS)	H(CCHS)	107.7500	0.125	3	107.7500	0.016	3	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SNiC)(CNO)(H)2	H(CCHS)	H(CCHS)	C(SNiC)(CNO)(H)2	H(CCHS)	H(CCHS)	107.8265	0.078	4	107.8265	0.006	4	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SNiC)(COO)(H)2	H(CCHS)	H(CCHS)	C(SNiC)(COO)(H)2	H(CCHS)	H(CCHS)	107.4490	0.169	8	107.4490	0.028	8	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SNiRh)(CNO)(H)2	H(CCHS)	H(CCHS)	C(SNiRh)(CNO)(H)2	H(CCHS)	H(CCHS)	107.9053	0.070	6	107.9053	0.005	6	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SPdC)(CNO)(H)2	H(CCHS)	H(CCHS)	C(SPdC)(CNO)(H)2	H(CCHS)	H(CCHS)	108.0845	0.427	6	108.0845	0.182	6	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SPdC)(COO)(H)2	H(CCHS)	H(CCHS)	C(SPdC)(COO)(H)2	H(CCHS)	H(CCHS)	107.8050	0.116	2	107.8050	0.013	2	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SPt2)(CCN)(H)2	H(CCHS)	H(CCHS)	C(SPt2)(CCN)(H)2	H(CCHS)	H(CCHS)	107.3810	0.481	2	107.3810	0.231	2	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SReC)(CHN)(H)2	H(CCHS)	H(CCHS)	C(SReC)(CHN)(H)2	H(CCHS)	H(CCHS)	106.9130	0.000	1	106.9130	0.000	1	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SReC)(COO)(H)2	H(CCHS)	H(CCHS)	C(SReC)(COO)(H)2	H(CCHS)	H(CCHS)	107.4856	0.070	5	107.4856	0.005	5	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SRh2)(CCH)(H)2	H(CCHS)	H(CCHS)	C(SRh2)(CCH)(H)2	H(CCHS)	H(CCHS)	105.6350	0.000	1	105.6350	0.000	1	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SRuC)(CCH)(H)2	H(CCHS)	H(CCHS)	C(SRuC)(CCH)(H)2	H(CCHS)	H(CCHS)	107.6880	0.000	1	107.6880	0.000	1	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SRuS)(CCH)(H)2	H(CCHS)	H(CCHS)	C(SRuS)(CCH)(H)2	H(CCHS)	H(CCHS)	108.3045	0.077	2	108.3045	0.006	2	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C-3:H-1:H-1:	C-4:	C-4:	C(SZnC)(COO)(H)2	H(CCHS)	H(CCHS)	C(SZnC)(COO)(H)2	H(CCHS)	H(CCHS)	107.1467	0.057	4	107.1467	0.003	4	107.8159	0.638	94	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(SB[3x3,3x5,12x6]C)(C[6a]C[6a]2)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(SB[3x3,3x5,12x6]C)(C[6a]C[6a]2)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.0290	0.000	1	108.0290	0.000	1	108.0290	0.000	1	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:N-3:H-1:H-1:	C-4:	C-4:	C(SFe2)(NCC)(H)2	H(CHNS)	H(CHNS)	C(SFe2)(NCC)(H)2	H(CHNS)	H(CHNS)	107.3973	0.290	79	107.3973	0.084	79	107.3973	0.084	79	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:S-3:H-1:H-1:	C-4:	C-4:	C(SC[6a]O)2(H)2	H(CHSS)	H(CHSS)	C(SC[6a]O)2(H)2	H(CHSS)	H(CHSS)	108.7500	0.260	3	108.7500	0.067	3	108.5672	1.153	11	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:S-3:H-1:H-1:	C-4:	C-4:	C(SFe2)(SFeC)(H)2	H(CHSS)	H(CHSS)	C(SFe2)(SFeC)(H)2	H(CHSS)	H(CHSS)	107.2510	0.025	2	107.2510	0.001	2	108.5672	1.153	11	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:S-3:H-1:H-1:	C-4:	C-4:	C(SMnB)(SRu2)(H)2	H(CHSS)	H(CHSS)	C(SMnB)(SRu2)(H)2	H(CHSS)	H(CHSS)	107.5720	0.000	1	107.5720	0.000	1	108.5672	1.153	11	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:S-3:H-1:H-1:	C-4:	C-4:	C(SMo2)2(H)2	H(CHSS)	H(CHSS)	C(SMo2)2(H)2	H(CHSS)	H(CHSS)	110.0875	0.070	2	110.0875	0.005	2	108.5672	1.153	11	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:S-3:H-1:H-1:	C-4:	C-4:	C(SPtC)2(H)2	H(CHSS)	H(CHSS)	C(SPtC)2(H)2	H(CHSS)	H(CHSS)	107.3690	0.000	1	107.3690	0.000	1	108.5672	1.153	11	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:S-3:H-1:H-1:	C-4:	C-4:	C(SReRu)(SRu2)(H)2	H(CHSS)	H(CHSS)	C(SReRu)(SRu2)(H)2	H(CHSS)	H(CHSS)	109.2720	0.000	1	109.2720	0.000	1	108.5672	1.153	11	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S-3:S-3:H-1:H-1:	C-4:	C-4:	C(SRuC)2(H)2	H(CHSS)	H(CHSS)	C(SRuC)2(H)2	H(CHSS)	H(CHSS)	109.0990	0.000	1	109.0990	0.000	1	108.5672	1.153	11	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	S[5,6]-3:C-3:H-1:H-1:	C-4:	C-4:	C(S[5,6]C[5,5,6]C[5,6])(COO)(H)2	H(CS[5,6]CH)	H(CS[5,6]CH)	C(S[5,6]C[5,5,6]C[5,6])(COO)(H)2	H(CS[5,6]CH)	H(CS[5,6]CH)	108.1700	0.000	1	108.1700	0.000	1	108.1700	0.000	1	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	Se-3:C-3:H-1:H-1:	C-4:	C-4:	C(SeBiC)(CCC)(H)2	H(CSeCH)	H(CSeCH)	C(SeBiC)(CCC)(H)2	H(CSeCH)	H(CSeCH)	106.6090	0.000	1	106.6090	0.000	1	108.0341	0.366	8	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	Se-3:C-3:H-1:H-1:	C-4:	C-4:	C(SeCC)(CCO)(H)2	H(CSeCH)	H(CSeCH)	C(SeCC)(CCO)(H)2	H(CSeCH)	H(CSeCH)	108.5300	0.000	1	108.5300	0.000	1	108.0341	0.366	8	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	Se-3:C-3:H-1:H-1:	C-4:	C-4:	C(SeC[5,6]C)(CCH)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[5,6]C)(CCH)(H)2	H(CSeCH)	H(CSeCH)	108.3480	0.000	1	108.3480	0.000	1	108.0341	0.366	8	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	Se-3:C-3:H-1:H-1:	C-4:	C-4:	C(SeMo2)(CCC)(H)2	H(CSeCH)	H(CSeCH)	C(SeMo2)(CCC)(H)2	H(CSeCH)	H(CSeCH)	108.1290	0.144	3	108.1290	0.021	3	108.0341	0.366	8	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	Se-3:C-3:H-1:H-1:	C-4:	C-4:	C(SeMo2)(CCH)(H)2	H(CSeCH)	H(CSeCH)	C(SeMo2)(CCH)(H)2	H(CSeCH)	H(CSeCH)	108.3780	0.000	1	108.3780	0.000	1	108.0341	0.366	8	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	Se-3:C-3:H-1:H-1:	C-4:	C-4:	C(SeMoW)(CCC)(H)2	H(CSeCH)	H(CSeCH)	C(SeMoW)(CCC)(H)2	H(CSeCH)	H(CSeCH)	108.0210	0.000	1	108.0210	0.000	1	108.0341	0.366	8	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:3:1:1:	4:	4:	Se-3:N-3:H-1:H-1:	C-4:	C-4:	C(SeFe2)(NCC)(H)2	H(CSeHN)	H(CSeHN)	C(SeFe2)(NCC)(H)2	H(CSeHN)	H(CSeHN)	107.5076	0.138	16	107.5076	0.019	16	107.5076	0.019	16	107.8765	1.442	19184	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	As-3:C-4:H-1:H-1:	C-4:	C-4:	C(AsC[6a]2)(CAsHH)(H)2	H(CAsCH)	H(CAsCH)	C(AsC[6a]2)(CAsHH)(H)2	H(CAsCH)	H(CAsCH)	108.1680	0.000	1	108.1680	0.000	1	110.2370	8.562	2	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	As-3:C-4:H-1:H-1:	C-4:	C-4:	C(AsC[6a]2)(CCHH)(H)2	H(CAsCH)	H(CAsCH)	C(AsC[6a]2)(CCHH)(H)2	H(CAsCH)	H(CAsCH)	112.3060	0.000	1	112.3060	0.000	1	110.2370	8.562	2	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	B-3:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]2)(CBHH)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]2)(CBHH)(H)2	H(CBCH)	H(CBCH)	108.8915	0.241	2	108.8915	0.058	2	108.1012	0.928	6	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	B-3:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]2)(CBHP)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]2)(CBHP)(H)2	H(CBCH)	H(CBCH)	109.0730	0.000	1	109.0730	0.000	1	108.1012	0.928	6	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	B-3:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]2)(CCHH)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]2)(CCHH)(H)2	H(CBCH)	H(CBCH)	107.2503	0.329	3	107.2503	0.108	3	108.1012	0.928	6	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	B-3:P-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]2)(PAuCC)(H)2	H(CBHP)	H(CBHP)	C(BC[6a]2)(PAuCC)(H)2	H(CBHP)	H(CBHP)	106.9010	0.000	1	106.9010	0.000	1	107.1155	0.092	2	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	B-3:P-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]C)(PCoCC)(H)2	H(CBHP)	H(CBHP)	C(BC[6a]C)(PCoCC)(H)2	H(CBHP)	H(CBHP)	107.3300	0.000	1	107.3300	0.000	1	107.1155	0.092	2	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	B[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(B[5]C[5,6a]2)(CCHH)(H)2	H(CB[5]CH)	H(CB[5]CH)	C(B[5]C[5,6a]2)(CCHH)(H)2	H(CB[5]CH)	H(CB[5]CH)	106.4860	0.242	2	106.4860	0.058	2	106.9725	4.067	17	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	B[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(B[5]C[5]O[5])(CCHH)(H)2	H(CB[5]CH)	H(CB[5]CH)	C(B[5]C[5]O[5])(CCHH)(H)2	H(CB[5]CH)	H(CB[5]CH)	99.3320	0.000	1	99.3320	0.000	1	106.9725	4.067	17	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	B[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(B[5]O[5]2)(CBHH)(H)2	H(CB[5]CH)	H(CB[5]CH)	C(B[5]O[5]2)(CBHH)(H)2	H(CB[5]CH)	H(CB[5]CH)	107.7620	0.000	1	107.7620	0.000	1	106.9725	4.067	17	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	B[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(B[5]O[5]2)(CCCH)(H)2	H(CB[5]CH)	H(CB[5]CH)	C(B[5]O[5]2)(CCCH)(H)2	H(CB[5]CH)	H(CB[5]CH)	107.7310	0.296	3	107.7310	0.088	3	106.9725	4.067	17	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	B[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(B[5]O[5]2)(CCHH)(H)2	H(CB[5]CH)	H(CB[5]CH)	C(B[5]O[5]2)(CCHH)(H)2	H(CB[5]CH)	H(CB[5]CH)	107.5053	0.134	3	107.5053	0.018	3	106.9725	4.067	17	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	B[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(B[5]O[5]2)(CC[5a]CC)(H)2	H(CB[5]CH)	H(CB[5]CH)	C(B[5]O[5]2)(CC[5a]CC)(H)2	H(CB[5]CH)	H(CB[5]CH)	107.1490	0.000	1	107.1490	0.000	1	106.9725	4.067	17	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	B[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(B[5]O[5]2)(CC[6a]CH)(H)2	H(CB[5]CH)	H(CB[5]CH)	C(B[5]O[5]2)(CC[6a]CH)(H)2	H(CB[5]CH)	H(CB[5]CH)	107.6013	0.265	6	107.6013	0.070	6	106.9725	4.067	17	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	B[6,6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(B[6,6]C[6,6]2)(CCHH)(H)2	H(CB[6,6]CH)	H(CB[6,6]CH)	C(B[6,6]C[6,6]2)(CCHH)(H)2	H(CB[6,6]CH)	H(CB[6,6]CH)	107.0805	0.043	2	107.0805	0.002	2	107.1478	0.032	8	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	B[6,6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(B[6,6]C[6,6]2)(CC[6a]HH)(H)2	H(CB[6,6]CH)	H(CB[6,6]CH)	C(B[6,6]C[6,6]2)(CC[6a]HH)(H)2	H(CB[6,6]CH)	H(CB[6,6]CH)	107.0190	0.000	1	107.0190	0.000	1	107.1478	0.032	8	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	B[6,6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(B[6,6]C[6,6]2)(CHHP)(H)2	H(CB[6,6]CH)	H(CB[6,6]CH)	C(B[6,6]C[6,6]2)(CHHP)(H)2	H(CB[6,6]CH)	H(CB[6,6]CH)	107.0980	0.091	3	107.0980	0.008	3	107.1478	0.032	8	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	B[6,6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(B[6,6]C[6,6]2)(CN[5]HH)(H)2	H(CB[6,6]CH)	H(CB[6,6]CH)	C(B[6,6]C[6,6]2)(CN[5]HH)(H)2	H(CB[6,6]CH)	H(CB[6,6]CH)	107.3540	0.300	2	107.3540	0.090	2	107.1478	0.032	8	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	B[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(B[6]C[6,6a]2)(CH3)(H)2	H(CB[6]CH)	H(CB[6]CH)	C(B[6]C[6,6a]2)(CH3)(H)2	H(CB[6]CH)	H(CB[6]CH)	108.2620	0.000	1	108.2620	0.000	1	108.2620	0.000	1	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:B-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(BHHN)(H)2	H(CBCH)	H(CBCH)	C(CC[6a]O)(BHHN)(H)2	H(CBCH)	H(CBCH)	108.4530	0.000	1	108.4530	0.000	1	108.4530	0.000	1	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CAgC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CAgC)(CH3)(H)2	H(CCCH)	H(CCCH)	108.0260	0.000	1	108.0260	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CAlC)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CAlC)(CC3)(H)2	H(CCCH)	H(CCCH)	107.5860	0.000	1	107.5860	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CAlC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CAlC)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8567	0.167	6	107.8567	0.028	6	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CB[5,5]O)(CC[6]HH)(H)2	H(CCCH)	H(CCCH)	C(CB[5,5]O)(CC[6]HH)(H)2	H(CCCH)	H(CCCH)	107.4340	0.126	2	107.4340	0.016	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CB[5]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CB[5]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6120	0.000	1	107.6120	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CB[5x3,5x5,20x6]C)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CB[5x3,5x5,20x6]C)(CH3)(H)2	H(CCCH)	H(CCCH)	107.6580	0.000	1	107.6580	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CB[6a]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CB[6a]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.5080	0.000	1	107.5080	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3,5]O)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CC[3,5]O)(CC3)(H)2	H(CCCH)	H(CCCH)	109.0080	0.000	1	109.0080	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3]C)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[3]C)(CHHO)(H)2	H(CCCH)	H(CCCH)	110.9185	0.152	6	110.9185	0.023	6	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3]Cl)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[3]Cl)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.3365	0.076	2	107.3365	0.006	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3]N)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[3]N)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.8415	0.117	2	107.8415	0.014	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3]O)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CC[3]O)(CC3)(H)2	H(CCCH)	H(CCCH)	108.9560	0.000	1	108.9560	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3]O)(CHHI)(H)2	H(CCCH)	H(CCCH)	C(CC[3]O)(CHHI)(H)2	H(CCCH)	H(CCCH)	107.8010	0.000	1	107.8010	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3x3,4,3x5,14x6]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[3x3,4,3x5,14x6]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6990	0.000	1	107.6990	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3x3,4,3x5,14x6]C[4])(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[3x3,4,3x5,14x6]C[4])(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4900	0.000	1	107.4900	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3x3,4,3x5,14x6]C[4])(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[3x3,4,3x5,14x6]C[4])(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	107.6010	0.000	1	107.6010	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[4]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4415	0.053	2	107.4415	0.003	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4]Cl)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[4]Cl)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.0340	0.000	1	108.0340	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4]H)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[4]H)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.2440	0.000	1	108.2440	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4]H)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[4]H)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.5495	0.173	2	107.5495	0.030	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4]H)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[4]H)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.8070	0.000	1	107.8070	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,5,6]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5,5,6]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6940	0.000	1	107.6940	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,6]H)(CCHN)(H)2	H(CCCH)	H(CCCH)	C(CC[5,6]H)(CCHN)(H)2	H(CCCH)	H(CCCH)	106.8760	0.000	1	106.8760	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,6]O)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5,6]O)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.7850	0.151	3	107.7850	0.023	3	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,6]O)(CCHN)(H)2	H(CCCH)	H(CCCH)	C(CC[5,6]O)(CCHN)(H)2	H(CCCH)	H(CCCH)	109.2800	0.344	2	109.2800	0.118	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,6]O)(CC[6]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[5,6]O)(CC[6]HH)(H)2	H(CCCH)	H(CCCH)	107.6240	0.000	1	107.6240	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,6]O)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5,6]O)(CH3)(H)2	H(CCCH)	H(CCCH)	107.5860	0.000	1	107.5860	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]C)(CCCN)(H)2	H(CCCH)	H(CCCH)	C(CC[5]C)(CCCN)(H)2	H(CCCH)	H(CCCH)	107.5230	0.000	1	107.5230	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]C)(CCCO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]C)(CCCO)(H)2	H(CCCH)	H(CCCH)	107.3420	0.000	1	107.3420	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	106.3484	4.808	21	106.3484	23.118	21	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]C)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5]C)(CH3)(H)2	H(CCCH)	H(CCCH)	106.7825	1.664	8	106.7825	2.770	8	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]C)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[5]C)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.4825	0.204	2	107.4825	0.042	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]H)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]H)(CCHH)(H)2	H(CCCH)	H(CCCH)	105.3446	5.150	9	105.3446	26.518	9	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]H)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5]H)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7820	0.207	4	107.7820	0.043	4	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]H)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[5]H)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.7790	0.139	3	107.7790	0.019	3	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]N)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]N)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.5950	0.513	5	107.5950	0.263	5	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]N)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5]N)(CH3)(H)2	H(CCCH)	H(CCCH)	107.9400	0.043	4	107.9400	0.002	4	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]O)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CC[5]O)(CC3)(H)2	H(CCCH)	H(CCCH)	109.5245	3.417	2	109.5245	11.679	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]O)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]O)(CCCH)(H)2	H(CCCH)	H(CCCH)	108.9986	0.006	5	108.9986	0.000	5	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]O)(CCCO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]O)(CCCO)(H)2	H(CCCH)	H(CCCH)	106.9080	0.000	1	106.9080	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]O)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]O)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6493	0.538	43	107.6493	0.289	43	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]O)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]O)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.7880	0.000	1	107.7880	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]O)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5]O)(CH3)(H)2	H(CCCH)	H(CCCH)	107.4133	0.453	4	107.4133	0.205	4	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]O)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[5]O)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.7728	0.146	8	107.7728	0.021	8	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]Pd)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5]Pd)(CH3)(H)2	H(CCCH)	H(CCCH)	108.0480	0.000	1	108.0480	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]S)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5]S)(CH3)(H)2	H(CCCH)	H(CCCH)	107.9820	0.000	1	107.9820	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]Si)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]Si)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.9270	0.000	1	107.9270	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]Si)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[5]Si)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.4570	0.000	1	107.4570	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]2)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]2)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.6000	0.140	7	107.6000	0.020	7	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]2)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]2)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.9291	0.272	12	107.9291	0.074	12	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]2)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]2)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8660	0.058	4	107.8660	0.003	4	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]C)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7443	0.122	3	107.7443	0.015	3	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]C)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.7660	0.000	1	107.7660	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[5])(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C[5])(CCHH)(H)2	H(CCCH)	H(CCCH)	108.0288	0.858	5	108.0288	0.736	5	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[5])(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C[5])(CH3)(H)2	H(CCCH)	H(CCCH)	106.1827	2.942	3	106.1827	8.654	3	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]N)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]N)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.9730	0.000	1	107.9730	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]N)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]N)(CH3)(H)2	H(CCCH)	H(CCCH)	108.0577	0.136	3	108.0577	0.019	3	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]O)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]O)(CC3)(H)2	H(CCCH)	H(CCCH)	107.4908	0.257	8	107.4908	0.066	8	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]O)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]O)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.4510	0.103	4	107.4510	0.011	4	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]O)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]O)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6097	0.875	39	107.6097	0.766	39	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]O)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]O)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.6960	0.000	1	107.6960	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]O)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]O)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7378	0.156	4	107.7378	0.024	4	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]O)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]O)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.6984	0.445	5	107.6984	0.198	5	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]O)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]O)(CHHO)(H)2	H(CCCH)	H(CCCH)	109.4820	0.000	1	109.4820	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5x3,5x5,20x6]C)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5x3,5x5,20x6]C)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8540	0.000	1	107.8540	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6,6]O)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6,6]O)(CCHH)(H)2	H(CCCH)	H(CCCH)	106.8990	0.000	2	106.8990	0.000	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6,6]Pd)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6,6]Pd)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.6510	0.000	1	107.6510	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]C)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]C)(CCCH)(H)2	H(CCCH)	H(CCCH)	108.3942	0.068	5	108.3942	0.005	5	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.5503	0.903	8	108.5503	0.815	8	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]C)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6]C)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.9270	0.000	1	107.9270	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]H)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]H)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.8472	0.334	14	107.8472	0.112	14	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]H)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6]H)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8055	0.110	2	107.8055	0.012	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]H)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[6]H)(CHHN)(H)2	H(CCCH)	H(CCCH)	108.4105	0.039	2	108.4105	0.002	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]I)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]I)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.7235	0.095	2	107.7235	0.009	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]N)(CCCN)(H)2	H(CCCH)	H(CCCH)	C(CC[6]N)(CCCN)(H)2	H(CCCH)	H(CCCH)	107.6160	0.000	1	107.6160	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]N)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]N)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.7304	0.330	29	107.7304	0.109	29	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]N)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6]N)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8417	0.142	13	107.8417	0.020	13	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]O)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CC[6]O)(CC3)(H)2	H(CCCH)	H(CCCH)	109.3507	2.873	3	109.3507	8.257	3	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]O)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]O)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.8345	0.968	24	107.8345	0.938	24	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]O)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6]O)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.8090	0.069	2	107.8090	0.005	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]O)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6]O)(CH3)(H)2	H(CCCH)	H(CCCH)	108.4765	1.381	2	108.4765	1.907	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]O)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6]O)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.6105	0.038	4	107.6105	0.001	4	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]P)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]P)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4085	0.151	4	107.4085	0.023	4	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C)(CC3)(H)2	H(CCCH)	H(CCCH)	107.7600	0.047	2	107.7600	0.002	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.3783	0.185	3	107.3783	0.034	3	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(CCCO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C)(CCCO)(H)2	H(CCCH)	H(CCCH)	107.8835	0.102	4	107.8835	0.010	4	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6567	0.513	32	107.6567	0.263	32	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C)(CCHO)(H)2	H(CCCH)	H(CCCH)	108.1660	0.000	1	108.1660	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(CCHS)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C)(CCHS)(H)2	H(CCCH)	H(CCCH)	107.7700	0.000	1	107.7700	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(CCrHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C)(CCrHH)(H)2	H(CCCH)	H(CCCH)	102.0760	0.000	1	102.0760	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(CF3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C)(CF3)(H)2	H(CCCH)	H(CCCH)	107.6720	0.000	1	107.6720	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8819	0.451	70	107.8819	0.203	70	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.6300	0.000	1	107.6300	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.9082	0.165	4	107.9082	0.027	4	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(CMoHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C)(CMoHH)(H)2	H(CCCH)	H(CCCH)	108.3070	0.000	1	108.3070	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(CRuCC)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C)(CRuCC)(H)2	H(CCCH)	H(CCCH)	113.0260	0.000	1	113.0260	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(CSi2H)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C)(CSi2H)(H)2	H(CCCH)	H(CCCH)	108.1650	0.000	1	108.1650	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5])(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[5])(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6055	0.310	2	107.6055	0.096	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5])(CC[6a]CH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[5])(CC[6a]CH)(H)2	H(CCCH)	H(CCCH)	107.6293	0.163	3	107.6293	0.027	3	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5])(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[5])(CH3)(H)2	H(CCCH)	H(CCCH)	107.8650	0.000	1	107.8650	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6])(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[6])(CCHH)(H)2	H(CCCH)	H(CCCH)	107.7125	0.182	2	107.7125	0.033	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6])(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[6])(CH3)(H)2	H(CCCH)	H(CCCH)	107.7845	0.004	2	107.7845	0.000	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]H)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]H)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.1090	0.000	2	108.1090	0.000	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]H)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]H)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7020	0.019	3	107.7020	0.000	3	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]Ir)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]Ir)(CH3)(H)2	H(CCCH)	H(CCCH)	107.2000	0.000	1	107.2000	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]N)(CC3)(H)2	H(CCCH)	H(CCCH)	107.3343	0.106	3	107.3343	0.011	3	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]N)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.5315	0.269	2	107.5315	0.073	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(CCCO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]N)(CCCO)(H)2	H(CCCH)	H(CCCH)	107.5036	0.103	7	107.5036	0.011	7	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]N)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.9189	0.190	7	107.9189	0.036	7	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]N)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8712	0.955	27	107.8712	0.912	27	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]N)(CHHN)(H)2	H(CCCH)	H(CCCH)	108.0280	0.000	1	108.0280	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]O)(CC3)(H)2	H(CCCH)	H(CCCH)	107.7013	1.045	4	107.7013	1.091	4	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]O)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.6960	0.222	28	107.6960	0.049	28	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(CCCO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]O)(CCCO)(H)2	H(CCCH)	H(CCCH)	107.7950	0.000	1	107.7950	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(CCFH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]O)(CCFH)(H)2	H(CCCH)	H(CCCH)	107.5960	0.000	1	107.5960	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.5646	0.863	92	107.5646	0.745	92	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(CCHN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]O)(CCHN)(H)2	H(CCCH)	H(CCCH)	107.8794	0.128	8	107.8794	0.016	8	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]O)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.9018	0.096	5	107.9018	0.009	5	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(CCHP)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]O)(CCHP)(H)2	H(CCCH)	H(CCCH)	107.9480	0.000	1	107.9480	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(CCHS)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]O)(CCHS)(H)2	H(CCCH)	H(CCCH)	107.7775	0.144	2	107.7775	0.021	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(CCOP)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]O)(CCOP)(H)2	H(CCCH)	H(CCCH)	108.3740	0.000	1	108.3740	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(CF3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]O)(CF3)(H)2	H(CCCH)	H(CCCH)	107.7110	0.073	3	107.7110	0.005	3	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(CFFH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]O)(CFFH)(H)2	H(CCCH)	H(CCCH)	107.7310	0.000	1	107.7310	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]O)(CH3)(H)2	H(CCCH)	H(CCCH)	107.3528	1.115	19	107.3528	1.243	19	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]O)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.9664	0.504	14	107.9664	0.254	14	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]O)(CHHS)(H)2	H(CCCH)	H(CCCH)	107.9250	0.062	2	107.9250	0.004	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(CHPP)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]O)(CHPP)(H)2	H(CCCH)	H(CCCH)	107.6460	0.000	1	107.6460	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CClC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CClC)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8995	7.051	2	107.8995	49.710	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CCoO)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CCoO)(CH3)(H)2	H(CCCH)	H(CCCH)	107.3510	0.000	1	107.3510	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CCuC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CCuC)(CH3)(H)2	H(CCCH)	H(CCCH)	112.9557	8.646	3	112.9557	74.751	3	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CFeC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CFeC)(CH3)(H)2	H(CCCH)	H(CCCH)	107.4832	1.126	5	107.4832	1.267	5	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CFeO)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CFeO)(CC3)(H)2	H(CCCH)	H(CCCH)	105.6030	0.000	1	105.6030	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CGeC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CGeC)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7120	0.000	1	107.7120	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CIrC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CIrC)(CH3)(H)2	H(CCCH)	H(CCCH)	107.6860	0.000	1	107.6860	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CIrN)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CIrN)(CC3)(H)2	H(CCCH)	H(CCCH)	107.3715	0.139	2	107.3715	0.019	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CMgC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CMgC)(CH3)(H)2	H(CCCH)	H(CCCH)	107.9440	0.173	2	107.9440	0.030	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CMnO)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CMnO)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8730	0.000	1	107.8730	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CMoC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CMoC)(CH3)(H)2	H(CCCH)	H(CCCH)	108.0190	0.000	1	108.0190	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CN[4]O)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CN[4]O)(CCHH)(H)2	H(CCCH)	H(CCCH)	109.4960	0.000	1	109.4960	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CN[5]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	106.5847	0.765	3	106.5847	0.586	3	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]H)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CN[5]H)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.5530	0.272	2	108.5530	0.074	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]O)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CN[5]O)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.8099	0.237	8	107.8099	0.056	8	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]O)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CN[5]O)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.3694	1.459	39	107.3694	2.128	39	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]O)(CCHN)(H)2	H(CCCH)	H(CCCH)	C(CN[5]O)(CCHN)(H)2	H(CCCH)	H(CCCH)	108.0860	0.000	1	108.0860	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]O)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CN[5]O)(CCHO)(H)2	H(CCCH)	H(CCCH)	108.0025	0.199	2	108.0025	0.039	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]O)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CN[5]O)(CH3)(H)2	H(CCCH)	H(CCCH)	108.1417	0.667	6	108.1417	0.445	6	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]O)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CN[5]O)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.8460	0.000	1	107.8460	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]Rh)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CN[5]Rh)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.5900	0.000	1	107.5900	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]S)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CN[5]S)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.8060	0.000	1	107.8060	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.5020	0.000	1	107.5020	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]H)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]H)(CH3)(H)2	H(CCCH)	H(CCCH)	109.5470	0.000	1	109.5470	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]N)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]N)(CH3)(H)2	H(CCCH)	H(CCCH)	108.0549	0.125	8	108.0549	0.016	8	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]O)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]O)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.9290	0.000	1	107.9290	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]O)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]O)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.9398	0.186	6	107.9398	0.035	6	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]O)(CCHS)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]O)(CCHS)(H)2	H(CCCH)	H(CCCH)	107.8960	0.000	1	107.8960	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]O)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]O)(CH3)(H)2	H(CCCH)	H(CCCH)	107.9280	0.000	1	107.9280	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6,6]O)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CN[6,6]O)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8150	0.000	1	107.8150	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CN[6]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.1513	0.900	3	108.1513	0.810	3	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6]O)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CN[6]O)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4825	1.439	8	107.4825	2.071	8	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6]O)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CN[6]O)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8912	0.105	4	107.8912	0.011	4	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6]O)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CN[6]O)(CHHN)(H)2	H(CCCH)	H(CCCH)	108.0580	0.393	3	108.0580	0.155	3	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6a]O)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CN[6a]O)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.9280	0.000	1	107.9280	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6a]O)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CN[6a]O)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.9100	0.049	2	107.9100	0.002	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CNiC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CNiC)(CH3)(H)2	H(CCCH)	H(CCCH)	107.6093	0.216	3	107.6093	0.047	3	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CNiN)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CNiN)(CH3)(H)2	H(CCCH)	H(CCCH)	107.0410	0.000	1	107.0410	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CNiO)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CNiO)(CC3)(H)2	H(CCCH)	H(CCCH)	107.5090	0.000	1	107.5090	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CPdC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CPdC)(CH3)(H)2	H(CCCH)	H(CCCH)	107.9093	0.044	4	107.9093	0.002	4	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CPtO)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CPtO)(CH3)(H)2	H(CCCH)	H(CCCH)	107.2350	0.000	1	107.2350	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CRe2)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CRe2)(CH3)(H)2	H(CCCH)	H(CCCH)	110.8930	0.000	1	110.8930	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CReO)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CReO)(CH3)(H)2	H(CCCH)	H(CCCH)	107.9170	0.151	2	107.9170	0.023	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CRhC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CRhC)(CH3)(H)2	H(CCCH)	H(CCCH)	107.4740	0.000	1	107.4740	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CRhO)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CRhO)(CH3)(H)2	H(CCCH)	H(CCCH)	107.9370	0.000	1	107.9370	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CRuC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CRuC)(CH3)(H)2	H(CCCH)	H(CCCH)	107.5760	0.338	4	107.5760	0.115	4	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CRuH)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CRuH)(CC3)(H)2	H(CCCH)	H(CCCH)	108.0920	0.000	1	108.0920	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CS[6]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CS[6]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.3860	0.000	1	107.3860	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CSnC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CSnC)(CH3)(H)2	H(CCCH)	H(CCCH)	107.6536	0.246	5	107.6536	0.060	5	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CTaC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CTaC)(CH3)(H)2	H(CCCH)	H(CCCH)	107.9050	0.000	1	107.9050	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CTiN)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CTiN)(CC3)(H)2	H(CCCH)	H(CCCH)	107.2390	0.000	1	107.2390	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CTiN)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CTiN)(CH3)(H)2	H(CCCH)	H(CCCH)	107.6050	0.000	1	107.6050	0.000	1	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CZnC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CZnC)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8073	0.308	3	107.8073	0.095	3	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	C-4:	C-4:	C(CZrC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CZrC)(CH3)(H)2	H(CCCH)	H(CCCH)	107.5440	0.201	2	107.5440	0.040	2	107.7182	1.833	921	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:N-4:H-1:H-1:	C-4:	C-4:	C(CC[5]C)(NFeCC)(H)2	H(CCHN)	H(CCHN)	C(CC[5]C)(NFeCC)(H)2	H(CCHN)	H(CCHN)	108.1670	0.000	1	108.1670	0.000	1	108.3056	0.394	11	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:N-4:H-1:H-1:	C-4:	C-4:	C(CC[5]H)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CC[5]H)(NH3)(H)2	H(CCHN)	H(CCHN)	108.4400	0.000	1	108.4400	0.000	1	108.3056	0.394	11	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(NCHH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]C)(NCHH)(H)2	H(CCHN)	H(CCHN)	107.6690	0.021	2	107.6690	0.000	2	108.3056	0.394	11	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]H)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]H)(NH3)(H)2	H(CCHN)	H(CCHN)	108.4250	0.000	1	108.4250	0.000	1	108.3056	0.394	11	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(NNiCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]N)(NNiCC)(H)2	H(CCHN)	H(CCHN)	107.9025	0.250	2	107.9025	0.062	2	108.3056	0.394	11	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]O)(NH3)(H)2	H(CCHN)	H(CCHN)	108.1010	0.000	1	108.1010	0.000	1	108.3056	0.394	11	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]H)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CN[5]H)(NH3)(H)2	H(CCHN)	H(CCHN)	108.1820	0.000	1	108.1820	0.000	1	108.3056	0.394	11	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]O)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CN[5]O)(NH3)(H)2	H(CCHN)	H(CCHN)	109.4520	0.064	2	109.4520	0.004	2	108.3056	0.394	11	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:P-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(PCCN)(H)2	H(CCHP)	H(CCHP)	C(CC[6a]N)(PCCN)(H)2	H(CCHP)	H(CCHP)	107.1170	0.000	2	107.1170	0.000	2	107.2780	0.036	4	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:P-4:H-1:H-1:	C-4:	C-4:	C(CN[5]O)(PO3)(H)2	H(CCHP)	H(CCHP)	C(CN[5]O)(PO3)(H)2	H(CCHP)	H(CCHP)	107.4820	0.000	1	107.4820	0.000	1	107.2780	0.036	4	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:P-4:H-1:H-1:	C-4:	C-4:	C(CReC)(PC3)(H)2	H(CCHP)	H(CCHP)	C(CReC)(PC3)(H)2	H(CCHP)	H(CCHP)	107.3960	0.000	1	107.3960	0.000	1	107.2780	0.036	4	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:S-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(SCOO)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]C)(SCOO)(H)2	H(CCHS)	H(CCHS)	107.8330	0.000	1	107.8330	0.000	1	108.2740	1.076	3	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:S-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(SCOO)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]N)(SCOO)(H)2	H(CCHS)	H(CCHS)	107.5300	0.000	1	107.5300	0.000	1	108.2740	1.076	3	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:S-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(SCOO)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]O)(SCOO)(H)2	H(CCHS)	H(CCHS)	109.4590	0.000	1	109.4590	0.000	1	108.2740	1.076	3	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:Si-4:H-1:H-1:	C-4:	C-4:	C(CC[5]Si)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	C(CC[5]Si)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	107.6430	0.000	1	107.6430	0.000	1	107.7425	0.014	4	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:Si-4:H-1:H-1:	C-4:	C-4:	C(CC[6]C)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	C(CC[6]C)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	107.6460	0.000	1	107.6460	0.000	1	107.7425	0.014	4	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C-3:Si-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	C(CC[6a]N)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	107.8405	0.060	2	107.8405	0.004	2	107.7425	0.014	4	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[3]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,5]C[3])(CH3)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3,5]C[3])(CH3)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.8195	0.148	2	107.8195	0.022	2	107.6794	0.101	7	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[3]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,6]C[3])(CH3)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3,6]C[3])(CH3)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.5470	0.000	1	107.5470	0.000	1	107.6794	0.101	7	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[3]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.0170	0.000	1	107.0170	0.000	1	107.6794	0.101	7	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[3]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2)(CH3)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2)(CH3)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.8370	0.000	1	107.8370	0.000	1	107.6794	0.101	7	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[3]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]Si[3]C[3])(CH3)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]Si[3]C[3])(CH3)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.8580	0.013	2	107.8580	0.000	2	107.6794	0.101	7	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[3a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[3a]Si[3a]C[3a])(CH3)(H)2	H(CC[3a]CH)	H(CC[3a]CH)	C(C[3a]Si[3a]C[3a])(CH3)(H)2	H(CC[3a]CH)	H(CC[3a]CH)	107.4975	0.281	2	107.4975	0.079	2	107.4975	0.079	2	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[4]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]B[4]C[4])(CHHP)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]B[4]C[4])(CHHP)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.9225	0.236	4	107.9225	0.056	4	107.6814	0.061	19	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[4]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6]C[4])(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4,6]C[4])(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.3810	0.000	1	107.3810	0.000	1	107.6814	0.061	19	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[4]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6]C[4])(CClHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4,6]C[4])(CClHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.7740	0.010	2	107.7740	0.000	2	107.6814	0.061	19	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[4]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2)(CH3)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2)(CH3)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.8860	0.000	1	107.8860	0.000	1	107.6814	0.061	19	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[4]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2)(CHHO)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2)(CHHO)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.4020	0.000	1	107.4020	0.000	1	107.6814	0.061	19	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[4]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]P[4])(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]P[4])(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.6820	0.000	1	107.6820	0.000	1	107.6814	0.061	19	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[4]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]N[4]2)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]N[4]2)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.3390	0.000	1	107.3390	0.000	1	107.6814	0.061	19	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[4]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]Si[4,4]C[4])(CH3)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]Si[4,4]C[4])(CH3)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.6273	0.219	8	107.6273	0.048	8	107.6814	0.061	19	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.7700	0.000	1	107.7700	0.000	1	107.5660	0.083	2	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(CH3)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6])(CH3)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.3620	0.000	1	107.3620	0.000	1	107.5660	0.083	2	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	H(CC[5,6]C[5]H)	H(CC[5,6]C[5]H)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	H(CC[5,6]C[5]H)	H(CC[5,6]C[5]H)	107.6495	0.133	11	107.6495	0.018	11	107.6495	0.018	11	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:B-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5])(BC[6a]3)(H)2	H(CC[5]BH)	H(CC[5]BH)	C(C[5]C[5]O[5])(BC[6a]3)(H)2	H(CC[5]BH)	H(CC[5]BH)	107.6270	0.000	1	107.6270	0.000	1	107.9320	0.186	2	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:B-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(BH3)(H)2	H(CC[5]BH)	H(CC[5]BH)	C(C[5]N[5]2)(BH3)(H)2	H(CC[5]BH)	H(CC[5]BH)	108.2370	0.000	1	108.2370	0.000	1	107.9320	0.186	2	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]B[5]C[5])(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]B[5]C[5])(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2410	0.000	1	107.2410	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]B[5]C[5])(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]B[5]C[5])(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9010	0.183	5	107.9010	0.033	5	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[4,5]C[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[4,5]C[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2165	0.053	2	107.2165	0.003	2	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5,6])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5,6])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5850	0.000	1	107.5850	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7960	0.331	21	107.7960	0.109	21	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7602	0.081	6	107.7602	0.007	6	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3293	0.069	4	107.3293	0.005	4	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7150	0.173	2	107.7150	0.030	2	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]N[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]N[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6545	0.166	2	107.6545	0.028	2	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5a]C[5,6a])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5a]C[5,6a])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8790	0.000	1	107.8790	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6,6]C[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6,6]C[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5910	0.000	1	107.5910	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]2)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]2)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0450	0.000	1	108.0450	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]2)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]2)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.1662	0.129	6	108.1662	0.017	6	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3100	0.051	2	107.3100	0.003	2	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5980	0.000	1	107.5980	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]N[5])(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]N[5])(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6170	0.000	1	107.6170	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]N[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]N[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5050	0.000	1	107.5050	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]2)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0840	0.000	1	108.0840	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6594	0.237	5	107.6594	0.056	5	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5])(CCHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CCHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.2070	0.000	1	108.2070	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5])(CC[6a]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CC[6a]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8560	0.320	2	107.8560	0.102	2	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8205	0.021	2	107.8205	0.000	2	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5])(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6292	0.138	4	107.6292	0.019	4	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5])(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9840	0.000	1	107.9840	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5])(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4480	0.000	1	107.4480	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5])(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9470	0.000	1	107.9470	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8380	0.000	1	107.8380	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5])(CC[5a]C[6a]H)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5])(CC[5a]C[6a]H)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4270	0.000	1	107.4270	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5])(CC[6a]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5])(CC[6a]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2640	0.000	1	107.2640	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]Se[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]Se[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3633	0.130	3	107.3633	0.017	3	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2)(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	103.3620	0.000	1	103.3620	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8127	0.589	12	107.8127	0.347	12	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9023	1.462	51	107.9023	2.139	51	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2)(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7022	0.395	5	107.7022	0.156	5	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(CC[3]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[3]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5320	0.000	1	107.5320	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(CC[5]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[5]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8813	0.161	3	107.8813	0.026	3	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8065	0.362	6	107.8065	0.131	6	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(CC[6]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[6]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.2320	0.000	2	108.2320	0.000	2	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(CC[6]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[6]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.3307	0.869	7	108.3307	0.755	7	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.8187	1.340	6	106.8187	1.796	6	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(CC[6a]HN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[6a]HN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5560	0.000	1	107.5560	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(CC[6a]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2)(CC[6a]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0680	0.000	1	108.0680	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(CClHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2)(CClHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7620	0.000	1	107.7620	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.1230	2.959	166	107.1230	8.754	166	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6230	0.155	8	107.6230	0.024	8	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8993	0.241	3	107.8993	0.058	3	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4630	0.000	1	107.4630	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(CHHS)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2)(CHHS)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6005	0.156	2	107.6005	0.024	2	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.0728	0.320	14	107.0728	0.102	14	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4470	0.034	3	107.4470	0.001	3	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8007	0.355	41	107.8007	0.126	41	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8459	1.637	67	107.8459	2.681	67	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0497	2.204	3	108.0497	4.859	3	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6050	0.294	10	107.6050	0.087	10	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.2790	0.000	1	108.2790	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7001	0.140	30	107.7001	0.020	30	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.6269	2.249	46	108.6269	5.056	46	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5390	0.000	1	107.5390	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6555	0.013	2	107.6555	0.000	2	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(CN[6]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5])(CN[6]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.2044	1.230	17	108.2044	1.513	17	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5])(CCCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5])(CCCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6780	0.000	1	107.6780	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7930	0.184	3	107.7930	0.034	3	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	114.9995	10.481	2	114.9995	109.861	2	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]P[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]P[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4863	0.281	3	107.4863	0.079	3	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]P[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]P[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.1194	4.750	9	106.1194	22.561	9	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5])(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]S[5])(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5920	0.000	1	107.5920	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]S[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6210	0.261	4	107.6210	0.068	4	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]S[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7915	0.012	2	107.7915	0.000	2	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5])(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]S[5])(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7115	1.227	17	107.7115	1.506	17	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]N[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5,5]N[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8195	0.091	2	107.8195	0.008	2	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7134	1.416	71	107.7134	2.004	71	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]2)(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8152	0.242	5	107.8152	0.059	5	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(CC[5]CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]2)(CC[5]CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9000	0.000	1	107.9000	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6171	1.834	29	107.6171	3.363	29	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(CC[5]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]2)(CC[5]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6716	0.190	13	107.6716	0.036	13	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]2)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7330	0.112	2	107.7330	0.012	2	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]2)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.9410	3.833	37	106.9410	14.696	37	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]2)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7062	0.241	12	107.7062	0.058	12	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]2)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.7254	1.966	5	108.7254	3.866	5	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(CHHS)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]2)(CHHS)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.4759	1.903	7	108.4759	3.623	7	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(CN[5a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]2)(CN[5a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	104.5730	0.000	1	104.5730	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(CPtCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]2)(CPtCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5240	0.058	2	107.5240	0.003	2	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(CRuCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]2)(CRuCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	109.5640	0.000	1	109.5640	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]O[5])(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5550	0.000	1	107.5550	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]O[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7704	0.129	5	107.7704	0.017	5	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]O[5])(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7900	0.519	2	107.7900	0.269	2	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]O[5])(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7535	0.272	2	107.7535	0.074	2	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]O[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7959	0.563	14	107.7959	0.317	14	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(CN[5a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]O[5])(CN[5a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9890	0.000	1	107.9890	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]S[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]S[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2850	0.000	1	107.2850	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]S[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]S[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5750	0.000	1	107.5750	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]S[5])(CHPP)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]S[5])(CHPP)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7010	0.000	1	107.7010	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]Se[5]C[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]Se[5]C[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3225	0.250	2	107.3225	0.062	2	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]Si[5]C[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]Si[5]C[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7740	0.000	1	107.7740	0.000	1	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]Si[5]C[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]Si[5]C[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8255	0.289	2	107.8255	0.084	2	107.6439	4.036	857	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5])(C[5]C[5]2C)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5,5]C[5])(C[5]C[5]2C)(H)2	H(CC[5]2H)	H(CC[5]2H)	107.2820	0.008	2	107.2820	0.000	2	107.8064	0.291	5	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(C[5]C[5]2Mn)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5]N[5])(C[5]C[5]2Mn)(H)2	H(CC[5]2H)	H(CC[5]2H)	108.3570	0.069	2	108.3570	0.005	2	107.8064	0.291	5	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6a]C[5])(C[5]C[5]O[5]P)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]N[5,6a]C[5])(C[5]C[5]O[5]P)(H)2	H(CC[5]2H)	H(CC[5]2H)	107.7540	0.000	1	107.7540	0.000	1	107.8064	0.291	5	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5])(C[6]C[6]N[6]H)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[5]C[5,6a]C[5])(C[6]C[6]N[6]H)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	107.4960	0.000	1	107.4960	0.000	1	107.4960	0.000	1	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:Ga-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(GaCl2C)(H)2	H(CC[5]GaH)	H(CC[5]GaH)	C(C[5]N[5]2)(GaCl2C)(H)2	H(CC[5]GaH)	H(CC[5]GaH)	107.9880	0.000	1	107.9880	0.000	1	107.9880	0.000	1	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:Ge-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(GeCl2Ge)(H)2	H(CC[5]GeH)	H(CC[5]GeH)	C(C[5]N[5]2)(GeCl2Ge)(H)2	H(CC[5]GeH)	H(CC[5]GeH)	106.8595	0.091	2	106.8595	0.008	2	107.2110	0.156	5	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:Ge-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(GeCl2W)(H)2	H(CC[5]GeH)	H(CC[5]GeH)	C(C[5]N[5]2)(GeCl2W)(H)2	H(CC[5]GeH)	H(CC[5]GeH)	107.0790	0.000	1	107.0790	0.000	1	107.2110	0.156	5	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:Ge-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(GeGeHH)(H)2	H(CC[5]GeH)	H(CC[5]GeH)	C(C[5]N[5]2)(GeGeHH)(H)2	H(CC[5]GeH)	H(CC[5]GeH)	107.6000	0.000	1	107.6000	0.000	1	107.2110	0.156	5	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:Ge-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(GeHHW)(H)2	H(CC[5]GeH)	H(CC[5]GeH)	C(C[5]N[5]2)(GeHHW)(H)2	H(CC[5]GeH)	H(CC[5]GeH)	107.6570	0.000	1	107.6570	0.000	1	107.2110	0.156	5	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(NC3)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2)(NC3)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.9590	0.000	2	107.9590	0.000	2	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(NCCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NCCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.7410	0.041	2	107.7410	0.002	2	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(NCoCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NCoCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.3692	0.194	17	108.3692	0.038	17	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(NCuCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NCuCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.2189	0.644	12	108.2189	0.414	12	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(NCuCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NCuCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.3380	0.052	2	108.3380	0.003	2	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(NFeCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NFeCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.4627	0.456	18	108.4627	0.208	18	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(NLiCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NLiCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.9030	0.000	1	107.9030	0.000	1	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(NMnCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NMnCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.1999	0.091	7	108.1999	0.008	7	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(NNiCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NNiCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.9990	0.000	1	107.9990	0.000	1	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(NReCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NReCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.1170	0.000	1	108.1170	0.000	1	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(NRuCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NRuCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.9078	0.647	6	108.9078	0.419	6	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(NZnCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5])(NZnCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.2847	0.102	3	108.2847	0.010	3	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5])(NRuCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]O[5])(NRuCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.3700	0.000	1	108.3700	0.000	1	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5])(NH3)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]S[5])(NH3)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.9655	0.117	2	107.9655	0.014	2	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NCHH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NCHH)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.9593	0.069	3	107.9593	0.005	3	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NC[5]CuH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NC[5]CuH)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.5660	0.000	1	108.5660	0.000	1	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NC[6]MnC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NC[6]MnC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.2925	0.028	2	108.2925	0.001	2	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NC[6]ZnC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NC[6]ZnC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.0210	0.014	2	108.0210	0.000	2	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NCdCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NCdCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.0726	0.114	7	108.0726	0.013	7	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NCdCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NCdCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.1810	0.000	1	108.1810	0.000	1	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NCoCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NCoCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.4128	0.111	4	108.4128	0.012	4	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NCoCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NCoCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.3850	0.249	2	108.3850	0.062	2	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NCrCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NCrCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.2860	0.230	6	108.2860	0.053	6	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NCuCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NCuCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	109.2270	1.401	9	109.2270	1.962	9	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NCuCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NCuCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.7471	1.210	8	108.7471	1.465	8	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NCuHH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NCuHH)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.3900	0.000	1	108.3900	0.000	1	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NEuCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NEuCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.1000	0.000	1	108.1000	0.000	1	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NFeCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NFeCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.6427	0.752	28	108.6427	0.565	28	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NFeCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NFeCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.5870	0.461	2	108.5870	0.213	2	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NH3)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NH3)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.6707	2.520	3	107.6707	6.352	3	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NLiCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NLiCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	105.1607	1.314	3	105.1607	1.726	3	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NMnCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NMnCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.2816	0.799	14	108.2816	0.638	14	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NMnCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NMnCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.7135	1.416	8	108.7135	2.006	8	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NMoCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NMoCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.4300	0.000	1	108.4300	0.000	1	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NNiCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NNiCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.2666	0.237	14	108.2666	0.056	14	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NNiCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NNiCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.8525	0.638	8	108.8525	0.407	8	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NNiHH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NNiHH)(H)2	H(CC[5]HN)	H(CC[5]HN)	106.2100	2.636	2	106.2100	6.949	2	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NReCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NReCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.3385	0.183	2	108.3385	0.034	2	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NZnCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NZnCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.2932	0.233	5	108.2932	0.054	5	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(NZnCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]2)(NZnCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.4420	0.000	1	108.4420	0.000	1	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(NC[6]ZnC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]O[5])(NC[6]ZnC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.2870	0.000	1	108.2870	0.000	1	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(NNiCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]O[5])(NNiCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.2713	0.251	14	108.2713	0.063	14	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(NZnCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]O[5])(NZnCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.1940	0.133	6	108.1940	0.018	6	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]S[5])(NCuCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]S[5])(NCuCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.6810	0.000	1	107.6810	0.000	1	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]S[5])(NFeCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]S[5])(NFeCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.2638	0.285	6	108.2638	0.081	6	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]S[5])(NZnCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5]S[5])(NZnCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.1095	0.046	2	108.1095	0.002	2	108.3488	0.681	243	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:O-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(OCo3)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]N[5]2)(OCo3)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.3520	0.128	3	108.3520	0.016	3	108.4312	0.019	6	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:O-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(OFe3)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]N[5]2)(OFe3)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.5103	0.113	3	108.5103	0.013	3	108.4312	0.019	6	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(PC[6]2Pt)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]N[5])(PC[6]2Pt)(H)2	H(CC[5]HP)	H(CC[5]HP)	108.6310	0.132	2	108.6310	0.017	2	108.1100	0.617	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(PC[6a]2Cu)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]N[5])(PC[6a]2Cu)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.8514	0.337	7	107.8514	0.114	7	108.1100	0.617	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(PC[6a]2N)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]N[5])(PC[6a]2N)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.8290	0.000	1	107.8290	0.000	1	108.1100	0.617	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(PC[6a]2Pd)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]N[5])(PC[6a]2Pd)(H)2	H(CC[5]HP)	H(CC[5]HP)	108.0510	0.506	2	108.0510	0.256	2	108.1100	0.617	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(PC[6a]2Rh)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]N[5])(PC[6a]2Rh)(H)2	H(CC[5]HP)	H(CC[5]HP)	108.0381	0.779	28	108.0381	0.606	28	108.1100	0.617	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(PC[6a]2Ti)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]N[5])(PC[6a]2Ti)(H)2	H(CC[5]HP)	H(CC[5]HP)	108.7410	0.000	1	108.7410	0.000	1	108.1100	0.617	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(PO3)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]N[5])(PO3)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.7240	0.000	1	107.7240	0.000	1	108.1100	0.617	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(PPdCC)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]N[5])(PPdCC)(H)2	H(CC[5]HP)	H(CC[5]HP)	108.5750	0.529	3	108.5750	0.280	3	108.1100	0.617	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(PC[6]2Ru)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]N[5]2)(PC[6]2Ru)(H)2	H(CC[5]HP)	H(CC[5]HP)	108.3060	0.000	2	108.3060	0.000	2	108.1100	0.617	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(PRhCC)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]N[5]2)(PRhCC)(H)2	H(CC[5]HP)	H(CC[5]HP)	108.7020	0.000	1	108.7020	0.000	1	108.1100	0.617	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(PC[6a]2C)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PC[6a]2C)(H)2	H(CC[5]HP)	H(CC[5]HP)	108.1040	0.000	1	108.1040	0.000	1	108.1100	0.617	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(PC[6a]2Co)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PC[6a]2Co)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.8910	0.434	2	107.8910	0.188	2	108.1100	0.617	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(PC[6a]2Fe)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PC[6a]2Fe)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.7740	0.099	2	107.7740	0.010	2	108.1100	0.617	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(PC[6a]2Ni)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PC[6a]2Ni)(H)2	H(CC[5]HP)	H(CC[5]HP)	108.6350	0.000	1	108.6350	0.000	1	108.1100	0.617	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(PC[6a]2O)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PC[6a]2O)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.8505	0.120	2	107.8505	0.014	2	108.1100	0.617	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(PC[6a]2Pd)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PC[6a]2Pd)(H)2	H(CC[5]HP)	H(CC[5]HP)	108.4711	0.343	11	108.4711	0.118	11	108.1100	0.617	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(PC[6a]2Pt)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PC[6a]2Pt)(H)2	H(CC[5]HP)	H(CC[5]HP)	108.5153	0.035	3	108.5153	0.001	3	108.1100	0.617	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(PC[6a]2Ru)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PC[6a]2Ru)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.1640	2.470	4	107.1640	6.101	4	108.1100	0.617	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(PC[6a]FeC)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PC[6a]FeC)(H)2	H(CC[5]HP)	H(CC[5]HP)	108.7590	0.011	2	108.7590	0.000	2	108.1100	0.617	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(PCoCC)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PCoCC)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.5830	0.000	1	107.5830	0.000	1	108.1100	0.617	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5])(PIrCC)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]N[5]O[5])(PIrCC)(H)2	H(CC[5]HP)	H(CC[5]HP)	108.1720	0.000	1	108.1720	0.000	1	108.1100	0.617	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]S[5])(PC[6a]2C)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]N[5]S[5])(PC[6a]2C)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.5410	0.000	1	107.5410	0.000	1	108.1100	0.617	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:P[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(P[6]O[6]2O)(H)2	H(CC[5]P[6]H)	H(CC[5]P[6]H)	C(C[5]C[5]N[5])(P[6]O[6]2O)(H)2	H(CC[5]P[6]H)	H(CC[5]P[6]H)	107.2315	0.302	2	107.2315	0.091	2	107.2315	0.091	2	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:S-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]N[5])(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5,5]N[5])(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.7200	0.000	1	107.7200	0.000	1	107.9260	0.085	2	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:S-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]2)(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	108.1320	0.000	1	108.1320	0.000	1	107.9260	0.085	2	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5a]C[5,6])(SiC3)(H)2	H(CC[5]SiH)	H(CC[5]SiH)	C(C[5]C[5,5a]C[5,6])(SiC3)(H)2	H(CC[5]SiH)	H(CC[5]SiH)	107.3290	0.000	1	107.3290	0.000	1	107.3290	0.000	1	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5,5a]C[5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5,5a]C[5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.8930	0.000	1	107.8930	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5,5a]N[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5,5a]N[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.8510	0.000	1	107.8510	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5,5a]N[5a])(CC[6a]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5,5a]N[5a])(CC[6a]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.8180	0.000	1	107.8180	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5,5a]S[5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5,5a]S[5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6150	0.158	2	107.6150	0.025	2	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,5a]C[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,5a]C[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.2967	0.674	3	107.2967	0.454	3	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.8685	0.198	15	107.8685	0.039	15	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	106.9958	4.519	46	106.9958	20.420	46	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6]C[5a])(CHHN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6]C[5a])(CHHN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	109.6395	0.293	2	109.6395	0.086	2	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6]N[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6]N[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.5725	0.046	2	107.5725	0.002	2	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6]N[5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6]N[5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7810	0.000	1	107.7810	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]2)(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]2)(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6685	0.012	2	107.6685	0.000	2	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6370	0.000	1	107.6370	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5,5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5,5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6090	0.000	1	107.6090	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5,5a])(CHHN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5,5a])(CHHN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	108.0460	0.000	1	108.0460	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CBCH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CBCH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.4440	0.000	1	107.4440	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CC3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CC3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.4720	0.000	1	107.4720	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCCH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCCH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.3270	0.000	1	107.3270	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCCN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCCN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.4210	0.000	1	107.4210	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.3097	1.326	27	107.3097	1.757	27	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.9589	2.408	96	107.9589	5.800	96	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7695	0.183	2	107.7695	0.034	2	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CC[6]CN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CC[6]CN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.4640	0.000	1	107.4640	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CC[6]HN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CC[6]HN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6775	0.146	2	107.6775	0.021	2	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CC[6a]CH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CC[6a]CH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.8260	0.006	2	107.8260	0.000	2	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CC[6a]HN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CC[6a]HN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.5470	0.400	2	107.5470	0.160	2	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCoOO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCoOO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.5060	0.000	1	107.5060	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6439	0.296	11	107.6439	0.088	11	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.8235	0.758	94	107.8235	0.575	94	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CHHO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CHHO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7655	0.094	4	107.7655	0.009	4	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CHNS)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CHNS)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6720	0.000	1	107.6720	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CN[5]CH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CN[5]CH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7530	0.000	1	107.7530	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7730	0.168	8	107.7730	0.028	8	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CN[5a]CH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CN[5a]CH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	108.0250	0.308	2	108.0250	0.095	2	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CN[5a]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CN[5a]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.5540	0.000	1	107.5540	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.5411	0.302	15	107.5411	0.091	15	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CN[6]CH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CN[6]CH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.9660	0.263	2	107.9660	0.069	2	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.8597	0.257	12	107.8597	0.066	12	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CNiOO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CNiOO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.4870	0.000	1	107.4870	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]N[5a,6a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]N[5a,6a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.1200	0.000	1	107.1200	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]N[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]N[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6680	0.275	3	107.6680	0.076	3	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]N[5a])(CC[6a]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]N[5a])(CC[6a]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.5550	0.000	1	107.5550	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]S[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a,6a]S[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	109.4155	0.009	2	109.4155	0.000	2	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(CC3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]2)(CC3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.5300	0.151	2	107.5300	0.023	2	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(CCCH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]2)(CCCH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6301	0.174	10	107.6301	0.030	10	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]2)(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.4191	1.520	125	107.4191	2.310	125	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(CC[5]CH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]2)(CC[5]CH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.2007	0.044	3	107.2007	0.002	3	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(CC[5]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]2)(CC[5]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.5117	0.316	3	107.5117	0.100	3	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(CC[6]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]2)(CC[6]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.5773	2.510	7	107.5773	6.298	7	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(CC[6a]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]2)(CC[6a]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	108.1470	0.000	1	108.1470	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]2)(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.8492	0.573	1013	107.8492	0.328	1013	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(CHHI)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]2)(CHHI)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	108.7320	0.000	1	108.7320	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(CHHS)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]2)(CHHS)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7670	0.000	1	107.7670	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CC3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.1743	1.087	6	107.1743	1.181	6	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CCCH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.9259	0.639	15	107.9259	0.409	15	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7976	0.807	94	107.7976	0.651	94	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CCHN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6224	0.877	17	107.6224	0.770	17	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CCHO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCHO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.8790	0.000	1	107.8790	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CC[5]CH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC[5]CH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.1840	0.000	1	107.1840	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CC[5]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC[5]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.3140	0.135	3	107.3140	0.018	3	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CC[5a]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC[5a]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7009	0.208	10	107.7009	0.043	10	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CC[6]CH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC[6]CH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	110.4360	0.000	1	110.4360	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CC[6a]2C)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC[6a]2C)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.5190	0.000	1	107.5190	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CC[6a]2H)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC[6a]2H)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7500	0.000	1	107.7500	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CC[6a]CC)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC[6a]CC)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.0320	0.000	1	107.0320	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CC[6a]CH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC[6a]CH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.8120	0.000	1	107.8120	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CC[6a]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC[6a]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7465	0.077	2	107.7465	0.006	2	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CClCH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CClCH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.8220	0.000	1	107.8220	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CCo2C)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCo2C)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	108.0750	0.000	1	108.0750	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CF3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CF3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6813	0.122	4	107.6813	0.015	4	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7714	1.127	27	107.7714	1.270	27	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CHHN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	108.0714	1.641	18	108.0714	2.693	18	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CHHO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CHHO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7415	0.306	2	107.7415	0.094	2	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CHHS)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CHHS)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.9830	0.000	1	107.9830	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CN[6]CH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CN[6]CH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.3905	0.268	2	107.3905	0.072	2	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(CN[6a]CH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CN[6a]CH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.8770	0.311	2	107.8770	0.097	2	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(CC3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CC3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7600	0.000	1	107.7600	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(CCCH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6961	0.202	11	107.6961	0.041	11	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(CCCO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CCCO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7427	0.098	3	107.7427	0.010	3	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(CCFF)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CCFF)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7160	0.000	1	107.7160	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	106.7929	2.043	23	106.7929	4.175	23	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(CCHN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CCHN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.5110	0.000	1	107.5110	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(CCHO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CCHO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.8335	0.112	2	107.8335	0.013	2	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(CC[6a]2H)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CC[6a]2H)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.9410	0.000	1	107.9410	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(CC[6a]CO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CC[6a]CO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.5860	0.000	1	107.5860	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(CC[6a]C[5]H)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CC[6a]C[5]H)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6665	0.173	2	107.6665	0.030	2	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(CC[6a]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CC[6a]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.8930	0.171	4	107.8930	0.029	4	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(CC[6a]HO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CC[6a]HO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7320	0.000	1	107.7320	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(CF3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CF3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.8330	0.000	1	107.8330	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6090	0.168	3	107.6090	0.028	3	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(CHHO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CHHO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7782	0.204	4	107.7782	0.041	4	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.5338	0.660	75	107.5338	0.436	75	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(CCHN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]S[5a])(CCHN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7550	0.000	1	107.7550	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(CC[6a]2C)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]S[5a])(CC[6a]2C)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.2335	0.125	2	107.2335	0.016	2	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(CF3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]S[5a])(CF3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7800	0.000	1	107.7800	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]S[5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.2970	1.131	21	107.2970	1.280	21	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(CHHN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]S[5a])(CHHN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.9386	0.105	5	107.9386	0.011	5	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(CHHO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]C[5a]S[5a])(CHHO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.5400	0.048	2	107.5400	0.002	2	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,5a]C[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a,5a]C[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.3180	0.000	1	107.3180	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,5a]C[5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a,5a]C[5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	105.1920	0.000	1	105.1920	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,5a]N[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a,5a]N[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7110	0.000	1	107.7110	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,5a]N[5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a,5a]N[5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7930	0.091	2	107.7930	0.008	2	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6]C[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a,6]C[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6385	0.124	2	107.6385	0.015	2	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6]C[5a])(CC[6a]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a,6]C[5a])(CC[6a]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6410	0.000	1	107.6410	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6]C[5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a,6]C[5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	108.0820	0.000	1	108.0820	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6]C[5a])(COPP)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a,6]C[5a])(COPP)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.3170	0.000	1	107.3170	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6]N[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a,6]N[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6937	0.099	8	107.6937	0.010	8	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6]N[5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a,6]N[5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7760	0.000	1	107.7760	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6a]C[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a,6a]C[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.8403	0.196	3	107.8403	0.038	3	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6a]C[5a])(CF3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a,6a]C[5a])(CF3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6800	0.000	1	107.6800	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6a]C[5a])(CHHO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a,6a]C[5a])(CHHO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7340	0.000	1	107.7340	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6a]N[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a,6a]N[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6915	0.135	2	107.6915	0.018	2	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a]2)(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.5621	1.161	46	107.5621	1.348	46	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(CCHN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a]2)(CCHN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6370	0.000	1	107.6370	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(CCHO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a]2)(CCHO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	109.9270	2.401	6	109.9270	5.766	6	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.8340	0.081	2	107.8340	0.006	2	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(CC[6a]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a]2)(CC[6a]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7606	0.237	5	107.7606	0.056	5	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a]2)(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6420	0.604	22	107.6420	0.365	22	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(CHHN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a]2)(CHHN)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7570	0.152	3	107.7570	0.023	3	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(CHHS)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a]2)(CHHS)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6710	0.232	3	107.6710	0.054	3	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(CN[5]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a]2)(CN[5]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6210	0.259	3	107.6210	0.067	3	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(CN[5a]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a]2)(CN[5a]HH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.9320	0.000	1	107.9320	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]O[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a]O[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7938	1.492	13	107.7938	2.226	13	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]O[5a])(CF3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a]O[5a])(CF3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6390	0.000	1	107.6390	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]S[5a])(CC3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a]S[5a])(CC3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.5930	0.000	1	107.5930	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]S[5a])(CCCH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a]S[5a])(CCCH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.3875	0.080	2	107.3875	0.006	2	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]S[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a]S[5a])(CCHH)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.6052	0.259	4	107.6052	0.067	4	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]S[5a])(CCHO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a]S[5a])(CCHO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	106.5220	1.563	3	106.5220	2.444	3	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]S[5a])(CC[6a]HO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a]S[5a])(CC[6a]HO)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.7600	0.000	1	107.7600	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]S[5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a]S[5a])(CH3)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	107.2836	1.198	7	107.2836	1.435	7	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]S[5a])(CHHS)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	C(C[5a]N[5a]S[5a])(CHHS)(H)2	H(CC[5a]CH)	H(CC[5a]CH)	108.0330	0.000	1	108.0330	0.000	1	107.7433	1.378	2070	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]N[5]H)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]N[5]H)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	107.6519	0.210	7	107.6519	0.044	7	107.6824	0.067	28	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]C)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]C)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	107.6910	0.000	1	107.6910	0.000	1	107.6824	0.067	28	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2Ti)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2Ti)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	107.8130	0.194	2	107.8130	0.038	2	107.6824	0.067	28	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]C)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]C)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	107.8210	0.138	4	107.8210	0.019	4	107.6824	0.067	28	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	107.7917	0.187	6	107.7917	0.035	6	107.6824	0.067	28	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]N)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]N)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	107.2030	0.129	3	107.2030	0.017	3	107.6824	0.067	28	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	107.6570	0.000	1	107.6570	0.000	1	107.6824	0.067	28	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[5]C[5]2C)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]2C)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	107.8040	0.000	1	107.8040	0.000	1	107.6824	0.067	28	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[5]C[5]2H)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]2H)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	107.7620	0.000	1	107.7620	0.000	1	107.6824	0.067	28	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(C[5]C[5]2H)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5a]C[5a]O[5a])(C[5]C[5]2H)(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	107.2680	0.000	1	107.2680	0.000	1	107.6824	0.067	28	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6]C[5a])(C[5]C[5]O[5]P[3])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5a]N[5a,6]C[5a])(C[5]C[5]O[5]P[3])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	108.0940	0.000	1	108.0940	0.000	1	107.6824	0.067	28	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6]N[6]H)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6]N[6]H)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	107.9510	0.000	1	107.9510	0.000	1	107.6647	0.220	36	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6]H)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6]H)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	107.6150	0.000	1	107.6150	0.000	1	107.6647	0.220	36	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	107.6968	0.333	5	107.6968	0.111	5	107.6647	0.220	36	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2Si)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2Si)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	107.2010	0.000	1	107.2010	0.000	1	107.6647	0.220	36	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]C)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]C)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	107.9940	0.805	3	107.9940	0.649	3	107.6647	0.220	36	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	107.5734	0.164	14	107.5734	0.027	14	107.6647	0.220	36	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]S)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]S)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	107.6300	0.000	1	107.6300	0.000	1	107.6647	0.220	36	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(C[6]C[6]2C)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	C(C[5a]C[5a]2)(C[6]C[6]2C)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	107.0947	0.186	3	107.0947	0.035	3	107.6647	0.220	36	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(C[6]C[6]2H)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	C(C[5a]C[5a]2)(C[6]C[6]2H)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	107.5130	0.000	1	107.5130	0.000	1	107.6647	0.220	36	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	C(C[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	108.0590	0.175	2	108.0590	0.031	2	107.6647	0.220	36	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(C[6]C[6]2C)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	C(C[5a]C[5a]O[5a])(C[6]C[6]2C)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	107.5010	0.095	2	107.5010	0.009	2	107.6647	0.220	36	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(C[6]C[6]2H)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	C(C[5a]C[5a]O[5a])(C[6]C[6]2H)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	108.5605	1.333	2	108.5605	1.777	2	107.6647	0.220	36	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(NCCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a,6a]C[5a])(NCCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.7500	0.000	1	107.7500	0.000	1	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(NC3)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]2)(NC3)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.1460	0.000	1	107.1460	0.000	1	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(NCHH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]2)(NCHH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.5415	0.473	2	107.5415	0.224	2	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NAl2C)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NAl2C)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.9633	0.053	4	107.9633	0.003	4	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NAlCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NAlCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.1711	1.137	21	108.1711	1.292	21	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NAlCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NAlCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.3658	0.104	16	108.3658	0.011	16	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NC3)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NC3)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.3580	0.000	1	107.3580	0.000	1	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NCCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NCCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.7282	0.190	5	107.7282	0.036	5	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NCHH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NCHH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.9753	0.237	3	107.9753	0.056	3	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NCoCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NCoCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.1065	0.931	2	108.1065	0.867	2	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NCuCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NCuCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.9235	0.663	2	107.9235	0.439	2	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NFeCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NFeCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.2337	0.575	14	108.2337	0.330	14	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NMnCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NMnCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.2660	0.000	1	108.2660	0.000	1	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NMoCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NMoCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.4693	0.208	4	108.4693	0.043	4	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NReCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NReCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.5290	0.223	2	107.5290	0.050	2	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NRuCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NRuCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.8140	0.000	1	108.8140	0.000	1	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NSnCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NSnCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.3690	0.059	2	108.3690	0.004	2	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(NZnCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NZnCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.4830	0.000	1	107.4830	0.000	1	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(NAlCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NAlCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.5597	0.175	4	107.5597	0.031	4	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(NCCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NCCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.8300	0.000	1	107.8300	0.000	1	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(NCHH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NCHH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.1030	0.119	2	108.1030	0.014	2	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(NCdCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NCdCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.5520	0.000	1	107.5520	0.000	1	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(NCoCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NCoCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.6210	0.000	1	107.6210	0.000	1	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(NH3)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NH3)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	109.5500	0.000	1	109.5500	0.000	1	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(NNiCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NNiCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.6510	0.000	1	107.6510	0.000	1	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(NPtCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NPtCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.8080	0.000	1	107.8080	0.000	1	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(NReCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NReCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.4380	0.000	1	107.4380	0.000	1	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(NRuHH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NRuHH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.6060	0.000	1	107.6060	0.000	1	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(NCHH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]S[5a])(NCHH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.7626	0.102	7	107.7626	0.010	7	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(NH3)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]S[5a])(NH3)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.9495	0.097	2	107.9495	0.009	2	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(NMnCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]S[5a])(NMnCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.3460	0.000	1	107.3460	0.000	1	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(NMnCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]S[5a])(NMnCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.6500	0.000	1	107.6500	0.000	1	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(NNiCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]S[5a])(NNiCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.3660	0.000	1	107.3660	0.000	1	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(NReCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]C[5a]S[5a])(NReCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.3680	0.000	1	107.3680	0.000	1	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6a]C[5a])(NCCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]N[5a,6a]C[5a])(NCCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.7190	0.000	1	107.7190	0.000	1	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(NCHH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]N[5a]2)(NCHH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.0590	0.000	1	108.0590	0.000	1	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(NCdCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]N[5a]2)(NCdCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.1850	0.000	1	108.1850	0.000	1	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(NCoCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]N[5a]2)(NCoCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.2965	0.102	4	108.2965	0.010	4	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(NFeCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]N[5a]2)(NFeCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.3528	0.248	5	108.3528	0.061	5	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(NH3)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]N[5a]2)(NH3)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	104.4280	0.000	1	104.4280	0.000	1	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(NMnCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]N[5a]2)(NMnCC)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	107.2790	0.000	1	107.2790	0.000	1	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(NMnCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]N[5a]2)(NMnCH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	108.2270	0.000	1	108.2270	0.000	1	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(NNiHH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	C(C[5a]N[5a]2)(NNiHH)(H)2	H(CC[5a]HN)	H(CC[5a]HN)	109.6280	0.000	1	109.6280	0.000	1	108.0374	0.510	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]2Sb)(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	C(C[5a]C[5a]N[5a])(N[5]C[5]2Sb)(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	108.2020	0.000	1	108.2020	0.000	1	108.5472	0.352	4	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]2Sn)(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	C(C[5a]C[5a]N[5a])(N[5]C[5]2Sn)(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	108.2760	0.017	2	108.2760	0.000	2	108.5472	0.352	4	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(N[5]C[5]2H)(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	C(C[5a]N[5a]2)(N[5]C[5]2H)(H)2	H(CC[5a]N[5]H)	H(CC[5a]N[5]H)	109.4350	0.000	1	109.4350	0.000	1	108.5472	0.352	4	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[6]C[6]2Al)(H)2	H(CC[5a]N[6]H)	H(CC[5a]N[6]H)	C(C[5a]C[5a]N[5a])(N[6]C[6]2Al)(H)2	H(CC[5a]N[6]H)	H(CC[5a]N[6]H)	108.2550	0.000	1	108.2550	0.000	1	107.9241	0.052	7	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:N[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(N[6]C[6]2H)(H)2	H(CC[5a]N[6]H)	H(CC[5a]N[6]H)	C(C[5a]N[5a]2)(N[6]C[6]2H)(H)2	H(CC[5a]N[6]H)	H(CC[5a]N[6]H)	107.8690	0.192	6	107.8690	0.037	6	107.9241	0.052	7	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:O-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(OCo3)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OCo3)(H)2	H(CC[5a]HO)	H(CC[5a]HO)	107.9060	0.000	1	107.9060	0.000	1	107.9060	0.000	1	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(PC[6]2Ni)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	C(C[5a]C[5a]N[5a])(PC[6]2Ni)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	108.6356	0.157	8	108.6356	0.025	8	108.3642	0.264	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(PC[6]2Sc)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	C(C[5a]C[5a]N[5a])(PC[6]2Sc)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	108.3427	0.201	3	108.3427	0.040	3	108.3642	0.264	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(PC[6a]2Cu)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	C(C[5a]C[5a]N[5a])(PC[6a]2Cu)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	107.5540	0.259	7	107.5540	0.067	7	108.3642	0.264	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(PC[6a]2Ir)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	C(C[5a]C[5a]N[5a])(PC[6a]2Ir)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	109.7600	0.000	1	109.7600	0.000	1	108.3642	0.264	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(PC[6a]2Ni)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	C(C[5a]C[5a]N[5a])(PC[6a]2Ni)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	108.7352	0.144	20	108.7352	0.021	20	108.3642	0.264	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(PC[6a]2O)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	C(C[5a]C[5a]N[5a])(PC[6a]2O)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	107.7943	0.132	6	107.7943	0.017	6	108.3642	0.264	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(PC[6a]2Pd)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	C(C[5a]C[5a]N[5a])(PC[6a]2Pd)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	108.3270	0.044	2	108.3270	0.002	2	108.3642	0.264	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(PCoCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	C(C[5a]C[5a]N[5a])(PCoCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	108.6140	0.290	2	108.6140	0.084	2	108.3642	0.264	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(PFeCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	C(C[5a]C[5a]N[5a])(PFeCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	108.4505	0.259	13	108.4505	0.067	13	108.3642	0.264	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(PIrCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	C(C[5a]C[5a]N[5a])(PIrCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	107.4933	0.664	4	107.4933	0.441	4	108.3642	0.264	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(PMoCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	C(C[5a]C[5a]N[5a])(PMoCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	108.3318	0.300	6	108.3318	0.090	6	108.3642	0.264	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(PNiCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	C(C[5a]C[5a]N[5a])(PNiCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	108.6235	0.132	32	108.6235	0.017	32	108.3642	0.264	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(PPdCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	C(C[5a]C[5a]N[5a])(PPdCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	107.5977	1.105	3	107.5977	1.220	3	108.3642	0.264	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(PPtCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	C(C[5a]C[5a]N[5a])(PPtCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	108.3017	0.097	4	108.3017	0.009	4	108.3642	0.264	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(PReCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	C(C[5a]C[5a]N[5a])(PReCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	108.3280	0.000	1	108.3280	0.000	1	108.3642	0.264	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(PRhCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	C(C[5a]C[5a]N[5a])(PRhCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	108.3026	0.101	8	108.3026	0.010	8	108.3642	0.264	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(PTiCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	C(C[5a]C[5a]N[5a])(PTiCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	108.3480	0.396	2	108.3480	0.157	2	108.3642	0.264	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(PO3)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	C(C[5a]C[5a]S[5a])(PO3)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	107.4450	0.000	1	107.4450	0.000	1	108.3642	0.264	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6]C[5a])(PAgCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	C(C[5a]N[5a,6]C[5a])(PAgCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	107.7540	0.143	2	107.7540	0.020	2	108.3642	0.264	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6]C[5a])(PCuCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	C(C[5a]N[5a,6]C[5a])(PCuCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	107.6550	0.226	2	107.6550	0.051	2	108.3642	0.264	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6]C[5a])(PPdCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	C(C[5a]N[5a,6]C[5a])(PPdCC)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	107.5763	0.078	4	107.5763	0.006	4	108.3642	0.264	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]O[5a])(PO3)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	C(C[5a]N[5a]O[5a])(PO3)(H)2	H(CC[5a]HP)	H(CC[5a]HP)	110.1880	0.000	1	110.1880	0.000	1	108.3642	0.264	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:P[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(P[6]O[6]2O)(H)2	H(CC[5a]P[6]H)	H(CC[5a]P[6]H)	C(C[5a]C[5a,6a]C[5a])(P[6]O[6]2O)(H)2	H(CC[5a]P[6]H)	H(CC[5a]P[6]H)	107.6370	0.000	1	107.6370	0.000	1	107.6227	0.000	3	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:P[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(P[6]O[6]2O)(H)2	H(CC[5a]P[6]H)	H(CC[5a]P[6]H)	C(C[5a]C[5a]N[5a])(P[6]O[6]2O)(H)2	H(CC[5a]P[6]H)	H(CC[5a]P[6]H)	107.6040	0.000	1	107.6040	0.000	1	107.6227	0.000	3	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:P[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(P[6]O[6]2O)(H)2	H(CC[5a]P[6]H)	H(CC[5a]P[6]H)	C(C[5a]C[5a]O[5a])(P[6]O[6]2O)(H)2	H(CC[5a]P[6]H)	H(CC[5a]P[6]H)	107.6270	0.000	1	107.6270	0.000	1	107.6227	0.000	3	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:S-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	C(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	107.8460	0.298	5	107.8460	0.089	5	108.0284	1.067	23	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:S-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]N[5a])(SNOO)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	C(C[5a]C[5a,6a]N[5a])(SNOO)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	107.8295	0.254	2	107.8295	0.064	2	108.0284	1.067	23	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:S-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(SCOO)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	C(C[5a]C[5a]2)(SCOO)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	107.6030	0.000	1	107.6030	0.000	1	108.0284	1.067	23	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:S-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(SC[5]OO)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	C(C[5a]C[5a]N[5a])(SC[5]OO)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	107.4990	0.013	2	107.4990	0.000	2	108.0284	1.067	23	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:S-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(SC[6a]OO)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	C(C[5a]C[5a]N[5a])(SC[6a]OO)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	107.7527	0.198	6	107.7527	0.039	6	108.0284	1.067	23	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:S-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(SC[6a]OO)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	C(C[5a]C[5a]O[5a])(SC[6a]OO)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	109.9935	3.321	2	109.9935	11.031	2	108.0284	1.067	23	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:S-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(SC[6a]OO)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	C(C[5a]C[5a]S[5a])(SC[6a]OO)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	109.4730	0.000	1	109.4730	0.000	1	108.0284	1.067	23	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:S-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6a]C[5a])(SC[6a]OO)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	C(C[5a]N[5a,6a]C[5a])(SC[6a]OO)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	107.7650	0.000	1	107.7650	0.000	1	108.0284	1.067	23	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:S-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(SC[6a]OO)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	C(C[5a]N[5a]2)(SC[6a]OO)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	108.2930	0.000	1	108.2930	0.000	1	108.0284	1.067	23	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:S-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]O[5a])(SCOO)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	C(C[5a]N[5a]O[5a])(SCOO)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	107.5870	0.000	1	107.5870	0.000	1	108.0284	1.067	23	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:S-4:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]O[5a])(SNOO)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	C(C[5a]N[5a]O[5a])(SNOO)(H)2	H(CC[5a]HS)	H(CC[5a]HS)	107.5420	0.000	1	107.5420	0.000	1	108.0284	1.067	23	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[5a]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(SiC3)(H)2	H(CC[5a]SiH)	H(CC[5a]SiH)	C(C[5a]C[5a]O[5a])(SiC3)(H)2	H(CC[5a]SiH)	H(CC[5a]SiH)	107.3410	0.000	1	107.3410	0.000	1	107.3410	0.000	1	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(CC3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6])(CC3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.2447	0.048	3	107.2447	0.002	3	107.6242	2.367	19	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(CCHH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6])(CCHH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	104.1870	0.000	1	104.1870	0.000	1	107.6242	2.367	19	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(CC[6,6]HH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6])(CC[6,6]HH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.8950	0.000	1	107.8950	0.000	1	107.6242	2.367	19	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	108.1041	1.401	13	108.1041	1.962	13	107.6242	2.367	19	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[4x6]C[6,6])(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[4x6]C[6,6])(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	105.6900	0.000	1	105.6900	0.000	1	107.6242	2.367	19	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:As-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(AsMoCC)(H)2	H(CC[6]AsH)	H(CC[6]AsH)	C(C[6]C[6]N[6])(AsMoCC)(H)2	H(CC[6]AsH)	H(CC[6]AsH)	102.9771	0.587	7	102.9771	0.344	7	103.1648	0.318	13	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:As-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(AsRuCC)(H)2	H(CC[6]AsH)	H(CC[6]AsH)	C(C[6]C[6]N[6])(AsRuCC)(H)2	H(CC[6]AsH)	H(CC[6]AsH)	103.3837	0.494	6	103.3837	0.244	6	103.1648	0.318	13	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:B-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(BC[6a]2N[6])(H)2	H(CC[6]BH)	H(CC[6]BH)	C(C[6]C[6]N[6])(BC[6a]2N[6])(H)2	H(CC[6]BH)	H(CC[6]BH)	106.8690	0.000	1	106.8690	0.000	1	107.6202	1.231	8	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:B-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(BC[6a]3)(H)2	H(CC[6]BH)	H(CC[6]BH)	C(C[6]C[6]N[6])(BC[6a]3)(H)2	H(CC[6]BH)	H(CC[6]BH)	107.7272	1.412	5	107.7272	1.993	5	107.6202	1.231	8	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:B-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(BN[6]CC)(H)2	H(CC[6]BH)	H(CC[6]BH)	C(C[6]C[6]N[6])(BN[6]CC)(H)2	H(CC[6]BH)	H(CC[6]BH)	107.7285	0.050	2	107.7285	0.003	2	107.6202	1.231	8	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4670	0.134	2	107.4670	0.018	2	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8263	0.150	4	107.8263	0.023	4	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[3x3,4,3x5,15x6]C[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[3x3,4,3x5,15x6]C[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8530	0.095	2	107.8530	0.009	2	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[4,6]C[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[4,6]C[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8330	0.000	1	107.8330	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[4,6]C[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[4,6]C[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8265	0.121	6	107.8265	0.015	6	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]2)(CC[5]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]2)(CC[5]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.9190	0.000	1	107.9190	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6])(CCCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6])(CCCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4810	0.000	1	107.4810	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6])(CC[3x6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6])(CC[3x6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.9175	0.308	2	107.9175	0.095	2	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6])(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6])(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6002	0.279	5	107.6002	0.078	5	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6])(CC[6a]CH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6])(CC[6a]CH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3325	0.436	2	107.3325	0.190	2	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6])(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6])(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7183	0.072	6	107.7183	0.005	6	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]2)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5a,6]2)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8562	0.131	5	107.8562	0.017	5	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5a,6]C[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8080	0.000	1	107.8080	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]N[6])(CCCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5a,6]N[6])(CCCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.0550	0.000	1	108.0550	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5x3,5x5,21x6]C[4,6])(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5x3,5x5,21x6]C[4,6])(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6280	0.303	2	107.6280	0.092	2	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5x3,5x5,21x6]C[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5x3,5x5,21x6]C[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8090	0.000	1	107.8090	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7126	0.141	11	107.7126	0.020	11	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.0605	0.932	6	108.0605	0.868	6	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6])(CC[5]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6])(CC[5]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6785	0.114	2	107.6785	0.013	2	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6])(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6])(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5870	0.304	2	107.5870	0.092	2	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6])(CHHS)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6])(CHHS)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3030	0.000	1	107.3030	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]2)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]2)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.9780	0.000	1	107.9780	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[5,6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[5,6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	99.9255	0.000	1	99.9255	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7375	0.060	2	107.7375	0.004	2	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6])(CF3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6])(CF3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6955	0.098	2	107.6955	0.010	2	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3605	1.030	4	107.3605	1.060	4	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]N[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3825	0.170	2	107.3825	0.029	2	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6])(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]N[6])(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.9020	0.000	1	107.9020	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]N[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8735	0.057	2	107.8735	0.003	2	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(CBrHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(CBrHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.2070	0.000	1	108.2070	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(CC3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(CC3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4370	0.490	3	107.4370	0.240	3	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(CCCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(CCCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4610	0.000	1	107.4610	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(CCCN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(CCCN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2640	0.000	1	107.2640	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(CCCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(CCCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.9640	0.000	1	107.9640	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5795	1.235	163	107.5795	1.526	163	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(CCHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	109.7920	8.399	3	109.7920	70.535	3	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(CCHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.1070	0.000	1	108.1070	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(CCHP)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(CCHP)(H)2	H(CC[6]CH)	H(CC[6]CH)	102.6430	0.000	1	102.6430	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7323	0.418	62	107.7323	0.175	62	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(CC[6a]CH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(CC[6a]CH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7930	0.000	1	107.7930	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(CC[6a]CO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(CC[6a]CO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8953	0.099	3	107.8953	0.010	3	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	109.5899	5.787	17	109.5899	33.491	17	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(CCl3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(CCl3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4110	0.000	1	107.4110	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(CClHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(CClHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7087	0.392	3	107.7087	0.153	3	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4236	1.714	84	107.4236	2.937	84	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(CHHI)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(CHHI)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2250	0.000	1	107.2250	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(CHHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(CHHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7710	0.250	6	107.7710	0.063	6	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8153	0.279	6	107.8153	0.078	6	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(CHHS)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(CHHS)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.9150	0.091	3	107.9150	0.008	3	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(CN[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(CN[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.9090	0.000	1	107.9090	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(COPP)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2)(COPP)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3820	0.361	2	107.3820	0.130	2	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(CC3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4460	0.000	1	107.4460	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(CCCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5503	0.107	3	107.5503	0.011	3	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(CCCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3408	0.230	15	107.3408	0.053	15	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6253	0.307	57	107.6253	0.094	57	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(CCHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4890	0.000	1	107.4890	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(CCHP)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHP)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.9895	0.086	4	107.9895	0.007	4	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(CC[5]RuH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[5]RuH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8610	0.000	1	107.8610	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7195	0.809	26	107.7195	0.655	26	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(CC[6]PtH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6]PtH)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.1130	0.000	1	108.1130	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(CC[6a]2O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]2O)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5931	0.662	20	107.5931	0.438	20	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4940	2.204	10	107.4940	4.855	10	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6721	0.195	7	107.6721	0.038	7	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	109.4783	0.071	3	109.4783	0.005	3	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(CC[6a]HO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]HO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5260	0.000	1	107.5260	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.9705	0.993	68	107.9705	0.987	68	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6912	1.872	194	107.6912	3.506	194	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6860	0.165	32	107.6860	0.027	32	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(CHHP)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHP)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2822	1.674	13	107.2822	2.802	13	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(CHHS)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHS)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.2663	7.072	15	106.2663	50.016	15	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(CN[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CN[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6740	0.091	2	107.6740	0.008	2	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(CRuHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6])(CRuHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8920	0.000	1	107.8920	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8099	0.414	7	107.8099	0.172	7	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6])(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6])(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.2790	0.076	2	108.2790	0.006	2	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6])(CC[6a]CO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6])(CC[6a]CO)(H)2	H(CC[6]CH)	H(CC[6]CH)	104.6080	0.000	1	104.6080	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6])(CC[6a]HN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6])(CC[6a]HN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6390	0.133	2	107.6390	0.018	2	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6])(CC[6a]HO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6])(CC[6a]HO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6625	0.019	2	107.6625	0.000	2	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8563	0.798	12	107.8563	0.637	12	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6])(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6])(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7225	0.073	2	107.7225	0.005	2	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]P[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]P[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7733	0.085	3	107.7733	0.007	3	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]S[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]S[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4550	0.000	1	107.4550	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]S[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]S[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6160	0.000	1	107.6160	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]Ge[5,6]C[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]Ge[5,6]C[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.0695	0.081	2	108.0695	0.007	2	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]Ge[6]C[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]Ge[6]C[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.9575	0.182	2	107.9575	0.033	2	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]N[5,6]C[6])(CCCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]N[5,6]C[6])(CCCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8015	0.193	2	107.8015	0.037	2	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]N[5,6]C[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]N[5,6]C[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6650	0.000	1	107.6650	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]N[5,6]C[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]N[5,6]C[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.9350	0.000	1	107.9350	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]N[5a,6]C[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]N[5a,6]C[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8440	0.000	1	107.8440	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]N[6,6a]O[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]N[6,6a]O[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7895	0.228	2	107.7895	0.052	2	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]2)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]N[6]2)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.9236	0.666	28	107.9236	0.444	28	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]2)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]N[6]2)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8083	0.251	3	107.8083	0.063	3	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]2)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]N[6]2)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7223	0.112	4	107.7223	0.013	4	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]2)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]N[6]2)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8380	0.000	1	107.8380	0.000	1	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]Si[6]C[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]Si[6]C[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.9798	0.175	6	107.9798	0.031	6	107.6809	2.987	1005	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C[4]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(C[4]C[4]2Os)(H)2	H(CC[4]C[6]H)	H(CC[4]C[6]H)	C(C[6]C[6]N[6])(C[4]C[4]2Os)(H)2	H(CC[4]C[6]H)	H(CC[4]C[6]H)	108.0370	0.000	1	108.0370	0.000	1	108.0370	0.000	1	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6])(C[5]C[5]O[5]H)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[6]C[5,6]C[6])(C[5]C[5]O[5]H)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	108.0155	0.254	2	108.0155	0.064	2	107.8707	0.043	10	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6])(C[5]O[5]2C)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[6]C[6,6]C[6])(C[5]O[5]2C)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	107.4960	0.000	1	107.4960	0.000	1	107.8707	0.043	10	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(C[5]C[5]2Fe)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[6]C[6]N[6])(C[5]C[5]2Fe)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	107.8448	0.189	4	107.8448	0.036	4	107.8707	0.043	10	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(C[5]C[5]2Ir)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[6]C[6]N[6])(C[5]C[5]2Ir)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	107.9337	0.099	3	107.9337	0.010	3	107.8707	0.043	10	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5x3,5x5,21x6]C[4,6])(C[6]C[6]2H)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[5x3,5x5,21x6]C[4,6])(C[6]C[6]2H)(H)2	H(CC[6]2H)	H(CC[6]2H)	107.3890	0.000	1	107.3890	0.000	1	108.3070	1.800	7	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6])(C[6]C[6]2O)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6,6]C[6])(C[6]C[6]2O)(H)2	H(CC[6]2H)	H(CC[6]2H)	107.7410	0.000	1	107.7410	0.000	1	108.3070	1.800	7	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(C[6]C[6]2Cr)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6]N[6])(C[6]C[6]2Cr)(H)2	H(CC[6]2H)	H(CC[6]2H)	110.9980	0.000	1	110.9980	0.000	1	108.3070	1.800	7	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(C[6]C[6]2O)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6]N[6])(C[6]C[6]2O)(H)2	H(CC[6]2H)	H(CC[6]2H)	107.4340	0.003	2	107.4340	0.000	2	108.3070	1.800	7	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(C[6]C[6]2Ru)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6]N[6])(C[6]C[6]2Ru)(H)2	H(CC[6]2H)	H(CC[6]2H)	108.5765	0.852	2	108.5765	0.726	2	108.3070	1.800	7	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:Ge-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(GeC3)(H)2	H(CC[6]GeH)	H(CC[6]GeH)	C(C[6]C[6]2)(GeC3)(H)2	H(CC[6]GeH)	H(CC[6]GeH)	108.2830	0.000	1	108.2830	0.000	1	108.1960	0.015	2	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:Ge-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(GeC3)(H)2	H(CC[6]GeH)	H(CC[6]GeH)	C(C[6]C[6]N[6])(GeC3)(H)2	H(CC[6]GeH)	H(CC[6]GeH)	108.1090	0.000	1	108.1090	0.000	1	108.1960	0.015	2	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6])(NH3)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6,6a]C[6])(NH3)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.6050	0.000	1	108.6050	0.000	1	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6])(NC[6]CdC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6,6a]N[6])(NC[6]CdC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.7394	0.181	7	107.7394	0.033	7	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6])(NCdCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6,6a]N[6])(NCdCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8003	0.224	6	107.8003	0.050	6	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6])(NCoCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6,6a]N[6])(NCoCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.6240	0.000	1	107.6240	0.000	1	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6])(NMnCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6,6a]N[6])(NMnCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.0515	0.189	4	108.0515	0.036	4	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6])(NReCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6,6a]N[6])(NReCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8625	0.280	4	107.8625	0.079	4	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6])(NZnCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6,6a]N[6])(NZnCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.0089	1.034	11	108.0089	1.070	11	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(NAgCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2)(NAgCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.2350	0.000	1	108.2350	0.000	1	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(NC3)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2)(NC3)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.4829	0.134	8	107.4829	0.018	8	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(NCCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2)(NCCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.6340	0.951	7	107.6340	0.904	7	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(NCHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2)(NCHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.0491	3.083	23	108.0491	9.505	23	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(NC[6]HH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2)(NC[6]HH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.7690	0.162	6	107.7690	0.026	6	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(NCoHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2)(NCoHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.5125	0.230	2	107.5125	0.053	2	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(NH3)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2)(NH3)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.5639	2.345	25	108.5639	5.499	25	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(NLiCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2)(NLiCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9637	0.079	6	107.9637	0.006	6	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(NMnCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2)(NMnCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.6450	0.095	2	107.6450	0.009	2	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(NNdCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2)(NNdCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.6707	0.117	3	107.6707	0.014	3	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(NNiCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2)(NNiCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.7998	0.335	6	107.7998	0.112	6	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(NZnCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2)(NZnCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8360	0.066	6	107.8360	0.004	6	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(NZnCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2)(NZnCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.7660	0.245	2	107.7660	0.060	2	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC3)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC3)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.5180	0.000	1	107.5180	0.000	1	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NCCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.6457	0.088	3	107.6457	0.008	3	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NCCV)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCCV)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.3850	1.952	19	108.3850	3.809	19	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NCHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.6410	0.000	1	107.6410	0.000	1	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[5,6]RuH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[5,6]RuH)(H)2	H(CC[6]HN)	H(CC[6]HN)	110.2160	2.633	2	110.2160	6.934	2	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]CdC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]CdC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9070	0.061	2	107.9070	0.004	2	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]CdH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]CdH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8490	0.158	3	107.8490	0.025	3	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]CoC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]CoC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.6890	0.000	1	108.6890	0.000	1	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]CuC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]CuC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8197	0.171	6	107.8197	0.029	6	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]FeC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]FeC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.0209	0.240	16	108.0209	0.057	16	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]HH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]HH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9650	0.000	1	107.9650	0.000	1	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]MnC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]MnC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8163	0.140	6	107.8163	0.020	6	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]MnH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]MnH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9970	0.000	1	107.9970	0.000	1	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]NiC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]NiC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8879	0.267	8	107.8879	0.072	8	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]RuC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]RuC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.1425	0.025	2	108.1425	0.001	2	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]ZnC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]ZnC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9993	0.069	3	107.9993	0.005	3	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6]ZnH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]ZnH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.0730	0.000	1	108.0730	0.000	1	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]CdC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]CdC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.7120	0.370	3	107.7120	0.137	3	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]CdH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]CdH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.2040	0.000	1	108.2040	0.000	1	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]CoC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]CoC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.4465	0.059	2	108.4465	0.003	2	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]CuC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]CuC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9238	0.239	33	107.9238	0.057	33	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]FeC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]FeC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.1710	0.088	2	108.1710	0.008	2	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]FeH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]FeH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.7845	0.786	4	108.7845	0.618	4	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]MnC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]MnC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.1973	0.079	3	108.1973	0.006	3	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]MnH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]MnH)(H)2	H(CC[6]HN)	H(CC[6]HN)	105.7325	1.761	2	105.7325	3.103	2	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]NiC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]NiC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8969	0.289	10	107.8969	0.083	10	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]NiH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]NiH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8847	0.128	4	107.8847	0.016	4	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]PdH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]PdH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8660	0.308	6	107.8660	0.095	6	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]PtH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]PtH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.0573	0.101	6	108.0573	0.010	6	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]ReH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]ReH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.3070	0.000	1	108.3070	0.000	1	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]RhH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]RhH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.7900	0.102	2	107.7900	0.010	2	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]RuC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]RuC)(H)2	H(CC[6]HN)	H(CC[6]HN)	109.5105	0.070	2	109.5105	0.005	2	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]RuH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]RuH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.3460	0.929	3	108.3460	0.862	3	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]Sn2)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]Sn2)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8950	0.085	2	107.8950	0.007	2	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]ZnC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]ZnC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.0421	0.265	10	108.0421	0.070	10	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]ZnH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6a]ZnH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8193	0.083	6	107.8193	0.007	6	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NCdCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCdCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.1207	2.433	18	108.1207	5.919	18	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NCdCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCdCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8275	0.124	2	107.8275	0.015	2	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NCoCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCoCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.1407	0.792	240	108.1407	0.628	240	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NCoCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCoCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.4485	0.953	29	108.4485	0.909	29	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NCoHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCoHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.9126	0.751	8	108.9126	0.564	8	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NCrCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCrCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.0990	0.221	9	108.0990	0.049	9	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NCrHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCrHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.3060	0.000	1	108.3060	0.000	1	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NCuCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.1668	1.022	328	108.1668	1.044	328	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NCuCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.7894	4.082	18	107.7894	16.666	18	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NCuCS)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuCS)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.0140	0.000	1	108.0140	0.000	1	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NCuHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCuHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.2250	0.101	11	108.2250	0.010	11	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NEuCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NEuCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.7498	0.295	4	107.7498	0.087	4	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NFeCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.0339	0.431	684	108.0339	0.186	684	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NFeCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.0105	1.024	58	108.0105	1.049	58	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NFeHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NFeHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.2337	0.885	60	108.2337	0.783	60	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NH3)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NH3)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9961	0.317	25	107.9961	0.100	25	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NHgCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NHgCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8315	0.202	2	107.8315	0.041	2	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NIr2C)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NIr2C)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9237	0.304	3	107.9237	0.092	3	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NIrCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NIrCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9648	0.240	31	107.9648	0.058	31	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NIrCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NIrCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.1382	0.208	4	108.1382	0.043	4	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NIrHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NIrHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9005	0.042	2	107.9005	0.002	2	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NLiCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NLiCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9710	0.039	5	107.9710	0.002	5	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NMgCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NMgCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9537	0.202	4	107.9537	0.041	4	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NMn2H)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NMn2H)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.3670	0.000	1	108.3670	0.000	1	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NMnCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NMnCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.0603	1.196	211	108.0603	1.431	211	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NMnCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NMnCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.0616	0.174	29	108.0616	0.030	29	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NMnCS)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NMnCS)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8670	0.159	4	107.8670	0.025	4	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NMnHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NMnHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	103.5210	0.000	1	103.5210	0.000	1	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NMoCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NMoCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9813	0.276	6	107.9813	0.076	6	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NNi2C)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NNi2C)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8360	0.140	2	107.8360	0.020	2	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NNiCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NNiCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.1990	1.417	187	108.1990	2.007	187	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NNiCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NNiCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9158	0.154	53	107.9158	0.024	53	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NNiHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NNiHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	110.4787	2.633	6	110.4787	6.934	6	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NOsCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NOsCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	109.4974	0.090	14	109.4974	0.008	14	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NOsCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NOsCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.2990	0.062	2	108.2990	0.004	2	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NPdCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NPdCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.1723	0.836	37	108.1723	0.699	37	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NPdCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NPdCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8600	0.133	3	107.8600	0.018	3	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NPtCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NPtCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.0719	0.137	11	108.0719	0.019	11	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NPtCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NPtCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.7335	0.054	2	107.7335	0.003	2	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NPtHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NPtHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.0472	0.143	5	108.0472	0.020	5	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NReCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NReCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9900	0.926	39	107.9900	0.857	39	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NReCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NReCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9485	0.097	4	107.9485	0.009	4	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NReCS)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NReCS)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9942	0.363	6	107.9942	0.132	6	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NReHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NReHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.1360	0.187	2	108.1360	0.035	2	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NRhCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NRhCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8868	0.373	16	107.8868	0.139	16	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NRhCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NRhCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9654	0.278	7	107.9654	0.077	7	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NRuCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NRuCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.1211	1.390	36	108.1211	1.932	36	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NRuCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NRuCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.3619	0.485	7	108.3619	0.235	7	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NRuHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NRuHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.3361	0.512	7	108.3361	0.262	7	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NSiZn2)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NSiZn2)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.5090	0.000	1	107.5090	0.000	1	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NTcCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NTcCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.0470	1.458	4	108.0470	2.126	4	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NTcCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NTcCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.7980	0.000	1	107.7980	0.000	1	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NYbCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NYbCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9633	0.096	4	107.9633	0.009	4	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NZn2C)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NZn2C)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.2839	0.635	14	108.2839	0.403	14	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NZnCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NZnCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.1152	1.008	161	108.1152	1.016	161	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NZnCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NZnCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.2123	0.751	25	108.2123	0.565	25	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(NZnHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NZnHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.7833	2.351	6	107.7833	5.528	6	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6])(NCoCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]O[6])(NCoCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9350	0.127	2	107.9350	0.016	2	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]S[6]2)(NCCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]S[6]2)(NCCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	106.3240	0.000	1	106.3240	0.000	1	108.0960	1.015	2773	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N[3]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(N[3]C[3]2Pd)(H)2	H(CC[6]N[3]H)	H(CC[6]N[3]H)	C(C[6]C[6]N[6])(N[3]C[3]2Pd)(H)2	H(CC[6]N[3]H)	H(CC[6]N[3]H)	108.5867	0.132	4	108.5867	0.017	4	108.5867	0.017	4	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Cd)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2Cd)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	110.8580	0.000	1	110.8580	0.000	1	108.1515	0.184	49	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Co)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2Co)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	108.0628	0.028	5	108.0628	0.001	5	108.1515	0.184	49	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Cu)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2Cu)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	107.8110	0.006	2	107.8110	0.000	2	108.1515	0.184	49	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	108.1316	0.171	25	108.1316	0.029	25	108.1515	0.184	49	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Mg)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2Mg)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	108.4030	0.000	1	108.4030	0.000	1	108.1515	0.184	49	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Mn)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2Mn)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	108.0312	0.134	9	108.0312	0.018	9	108.1515	0.184	49	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Mo)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2Mo)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	108.0115	0.012	2	108.0115	0.000	2	108.1515	0.184	49	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Ni)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2Ni)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	107.8140	0.000	1	107.8140	0.000	1	108.1515	0.184	49	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2Ru)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2Ru)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	108.2723	0.025	3	108.2723	0.001	3	108.1515	0.184	49	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(N[6]C[6]2Co)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	C(C[6]C[6]N[6])(N[6]C[6]2Co)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	108.1100	0.028	3	108.1100	0.001	3	107.9667	0.038	23	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(N[6]C[6]2Cu)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	C(C[6]C[6]N[6])(N[6]C[6]2Cu)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	107.8920	0.169	11	107.8920	0.029	11	107.9667	0.038	23	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(N[6]C[6]2Mn)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	C(C[6]C[6]N[6])(N[6]C[6]2Mn)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	108.1380	0.119	4	108.1380	0.014	4	107.9667	0.038	23	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(N[6]C[6]2Ni)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	C(C[6]C[6]N[6])(N[6]C[6]2Ni)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	107.4880	0.000	1	107.4880	0.000	1	107.9667	0.038	23	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:N[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(N[6]C[6]2Zn)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	C(C[6]C[6]N[6])(N[6]C[6]2Zn)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	108.0132	0.088	4	108.0132	0.008	4	107.9667	0.038	23	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:O-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OCo3)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OCo3)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.9960	0.097	4	107.9960	0.009	4	108.0763	0.016	34	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:O-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OFe3)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OFe3)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.1265	0.021	2	108.1265	0.000	2	108.0763	0.016	34	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:O-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(OMn3)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OMn3)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.1650	0.000	1	108.1650	0.000	1	108.0763	0.016	34	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:O-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(ONi3)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6])(ONi3)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.0811	0.134	27	108.0811	0.018	27	108.0763	0.016	34	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6])(PC[6a]2Zr)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[5,6]C[6])(PC[6a]2Zr)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.4555	0.030	2	108.4555	0.001	2	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6])(PC[6a]2Rh)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6,6a]N[6])(PC[6a]2Rh)(H)2	H(CC[6]HP)	H(CC[6]HP)	107.6270	0.767	4	107.6270	0.588	4	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(PC[6a]2O)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]2)(PC[6a]2O)(H)2	H(CC[6]HP)	H(CC[6]HP)	107.7520	0.000	1	107.7520	0.000	1	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(PC[6a]3)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]2)(PC[6a]3)(H)2	H(CC[6]HP)	H(CC[6]HP)	109.6780	0.000	1	109.6780	0.000	1	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(PCuCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]2)(PCuCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	105.3770	0.000	1	105.3770	0.000	1	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(PHfCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]2)(PHfCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.6563	0.034	3	108.6563	0.001	3	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(PIrCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]2)(PIrCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	109.6685	1.538	2	109.6685	2.365	2	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(PO3)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]2)(PO3)(H)2	H(CC[6]HP)	H(CC[6]HP)	107.6823	0.181	7	107.6823	0.033	7	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(PZrCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]2)(PZrCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.6187	0.090	3	108.6187	0.008	3	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PAgCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PAgCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	107.6695	0.022	2	107.6695	0.000	2	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PCCW)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PCCW)(H)2	H(CC[6]HP)	H(CC[6]HP)	109.5180	0.000	1	109.5180	0.000	1	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PC[6]2Fe)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6]2Fe)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.4645	0.447	6	108.4645	0.200	6	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PC[6]2Mo)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6]2Mo)(H)2	H(CC[6]HP)	H(CC[6]HP)	105.1790	0.000	1	105.1790	0.000	1	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PC[6]2Re)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6]2Re)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.2100	0.000	1	108.2100	0.000	1	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PC[6]2Ru)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6]2Ru)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.0575	0.060	2	108.0575	0.004	2	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Co)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Co)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.3090	0.095	4	108.3090	0.009	4	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Cr)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Cr)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.1065	0.152	4	108.1065	0.023	4	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Cu)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Cu)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.2662	0.202	4	108.2662	0.041	4	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Fe)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Fe)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.5706	0.228	7	108.5706	0.052	7	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Ir)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Ir)(H)2	H(CC[6]HP)	H(CC[6]HP)	107.6225	0.371	4	107.6225	0.138	4	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Mn)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Mn)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.2640	0.000	1	108.2640	0.000	1	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Mo)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Mo)(H)2	H(CC[6]HP)	H(CC[6]HP)	107.4083	0.449	7	107.4083	0.202	7	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2N)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2N)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.5330	0.000	1	108.5330	0.000	1	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Ni)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Ni)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.6700	0.000	1	108.6700	0.000	1	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	H(CC[6]HP)	H(CC[6]HP)	107.7425	0.451	6	107.7425	0.203	6	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Os)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Os)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.0645	0.090	2	108.0645	0.008	2	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Pd)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Pd)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.3897	0.263	6	108.3897	0.069	6	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Re)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Re)(H)2	H(CC[6]HP)	H(CC[6]HP)	107.7445	0.276	2	107.7445	0.076	2	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Rh)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Rh)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.2228	0.196	5	108.2228	0.038	5	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Ru)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Ru)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.5711	1.402	8	108.5711	1.966	8	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2W)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2W)(H)2	H(CC[6]HP)	H(CC[6]HP)	107.6227	0.146	3	107.6227	0.021	3	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]CrC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]CrC)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.1032	0.388	10	108.1032	0.151	10	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]IrC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]IrC)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.5004	0.627	7	108.5004	0.393	7	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]PdC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]PdC)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.2634	0.391	11	108.2634	0.153	11	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]RhC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]RhC)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.9927	0.730	3	108.9927	0.533	3	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]RuC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]RuC)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.5090	0.429	2	108.5090	0.184	2	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PCoCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PCoCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.2403	0.210	39	108.2403	0.044	39	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PCrCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PCrCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	107.8807	0.460	3	107.8807	0.211	3	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PCuCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PCuCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	107.5447	0.251	6	107.5447	0.063	6	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PFeCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PFeCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	107.9068	1.232	23	107.9068	1.518	23	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PIrCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PIrCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	107.3985	2.471	35	107.3985	6.108	35	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PMnCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PMnCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.2154	0.238	12	108.2154	0.057	12	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PMoCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PMoCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	107.1327	1.493	32	107.1327	2.230	32	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PNiCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PNiCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.2155	0.149	13	108.2155	0.022	13	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PO3)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PO3)(H)2	H(CC[6]HP)	H(CC[6]HP)	107.4140	0.109	2	107.4140	0.012	2	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PPdCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PPdCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	107.8043	0.127	21	107.8043	0.016	21	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PPtCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PPtCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	107.9455	0.206	11	107.9455	0.042	11	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PReCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PReCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.0830	0.103	10	108.0830	0.011	10	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PRhCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PRhCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	107.9759	0.365	53	107.9759	0.134	53	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PRuCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PRuCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	107.9358	0.614	44	107.9358	0.377	44	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PZnCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PZnCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	107.6773	0.280	6	107.6773	0.078	6	107.9390	1.033	445	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:S-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SCu2C)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SCu2C)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.9438	0.073	4	107.9438	0.005	4	107.9628	0.006	5	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:S-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SRhCO)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6])(SRhCO)(H)2	H(CC[6]HS)	H(CC[6]HS)	108.0390	0.000	1	108.0390	0.000	1	107.9628	0.006	5	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(SiC3)(H)2	H(CC[6]SiH)	H(CC[6]SiH)	C(C[6]C[6]2)(SiC3)(H)2	H(CC[6]SiH)	H(CC[6]SiH)	108.2440	1.114	3	108.2440	1.240	3	107.8577	0.330	15	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SiC3)(H)2	H(CC[6]SiH)	H(CC[6]SiH)	C(C[6]C[6]N[6])(SiC3)(H)2	H(CC[6]SiH)	H(CC[6]SiH)	107.0935	0.088	2	107.0935	0.008	2	107.8577	0.330	15	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SiC[6a]2C)(H)2	H(CC[6]SiH)	H(CC[6]SiH)	C(C[6]C[6]N[6])(SiC[6a]2C)(H)2	H(CC[6]SiH)	H(CC[6]SiH)	107.5923	0.099	3	107.5923	0.010	3	107.8577	0.330	15	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SiIrCC)(H)2	H(CC[6]SiH)	H(CC[6]SiH)	C(C[6]C[6]N[6])(SiIrCC)(H)2	H(CC[6]SiH)	H(CC[6]SiH)	108.0593	0.089	3	108.0593	0.008	3	107.8577	0.330	15	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SiRhCC)(H)2	H(CC[6]SiH)	H(CC[6]SiH)	C(C[6]C[6]N[6])(SiRhCC)(H)2	H(CC[6]SiH)	H(CC[6]SiH)	108.1720	0.000	1	108.1720	0.000	1	107.8577	0.330	15	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SiRuCC)(H)2	H(CC[6]SiH)	H(CC[6]SiH)	C(C[6]C[6]N[6])(SiRuCC)(H)2	H(CC[6]SiH)	H(CC[6]SiH)	107.9397	0.118	3	107.9397	0.014	3	107.8577	0.330	15	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:As-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(AsO3)(H)2	H(CC[6a]AsH)	H(CC[6a]AsH)	C(C[6a]C[6a]2)(AsO3)(H)2	H(CC[6a]AsH)	H(CC[6a]AsH)	107.9710	0.300	4	107.9710	0.090	4	107.9710	0.090	4	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:B-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(BCHN)(H)2	H(CC[6a]BH)	H(CC[6a]BH)	C(C[6a]C[6a]2)(BCHN)(H)2	H(CC[6a]BH)	H(CC[6a]BH)	107.8830	0.000	1	107.8830	0.000	1	107.5457	0.087	3	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:B-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(BC[6a]3)(H)2	H(CC[6a]BH)	H(CC[6a]BH)	C(C[6a]C[6a]2)(BC[6a]3)(H)2	H(CC[6a]BH)	H(CC[6a]BH)	107.3770	0.059	2	107.3770	0.004	2	107.5457	0.087	3	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]B[6a]C[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]B[6a]C[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8320	0.188	2	107.8320	0.035	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[4,6a]C[6a])(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[4,6a]C[6a])(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8110	0.071	2	107.8110	0.005	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.2760	1.320	10	107.2760	1.743	10	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CCHN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CCHN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9210	0.000	1	107.9210	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8119	0.047	7	107.8119	0.002	7	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8542	0.865	12	107.8542	0.749	12	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7660	0.523	4	107.7660	0.274	4	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CN[5]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CN[5]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4057	0.573	4	107.4057	0.328	4	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]N[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5,6a]N[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9100	0.000	1	107.9100	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]O[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5,6a]O[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.1597	0.177	3	107.1597	0.031	3	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]2)(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]2)(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8463	0.152	6	107.8463	0.023	6	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]2)(CCHN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]2)(CCHN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6580	0.000	1	107.6580	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]2)(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]2)(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9530	0.071	2	107.9530	0.005	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[5,6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[5,6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8975	0.327	2	107.8975	0.107	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6,6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6,6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7340	0.199	2	107.7340	0.040	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a,6a])(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a,6a])(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8820	0.000	1	107.8820	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4498	1.032	42	107.4498	1.064	42	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CClHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CClHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5860	0.000	1	107.5860	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CF3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CF3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8200	0.000	1	107.8200	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6028	0.382	13	107.6028	0.146	13	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CHHN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CHHN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.0035	0.056	2	108.0035	0.003	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(CCCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]N[6a])(CCCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	109.7570	0.000	1	109.7570	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]N[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.0045	0.230	2	108.0045	0.053	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6,6a]C[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6,6,6a]C[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	109.4565	0.042	2	109.4565	0.002	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6,6a]C[6a])(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6,6,6a]C[6a])(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	109.4965	0.102	4	109.4965	0.010	4	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]2)(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6,6a]2)(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.0150	0.000	1	108.0150	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4663	0.127	6	107.4663	0.016	6	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CC[6]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CC[6]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7460	0.000	1	107.7460	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7440	0.000	1	107.7440	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7461	0.271	7	107.7461	0.073	7	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]N[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6,6a]N[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.2750	0.000	1	107.2750	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]N[6a])(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6,6a]N[6a])(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.1350	0.000	1	108.1350	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]O[6a])(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6,6a]O[6a])(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4040	0.000	1	107.4040	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(CCCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]2)(CCCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6122	0.283	6	107.6122	0.080	6	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]2)(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5583	2.126	23	107.5583	4.520	23	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7590	0.116	2	107.7590	0.013	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]2)(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	109.4780	0.038	2	109.4780	0.001	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[5,6a])(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[5,6a])(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8555	0.132	2	107.8555	0.017	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6,6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6,6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5683	0.439	4	107.5683	0.193	4	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CB[5]CH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CB[5]CH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7330	0.000	1	107.7330	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CBrCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CBrCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6220	0.034	2	107.6220	0.001	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CC3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7205	0.067	2	107.7205	0.005	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8940	0.059	2	107.8940	0.004	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7210	1.905	61	107.7210	3.628	61	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7935	0.063	2	107.7935	0.004	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9440	0.113	2	107.9440	0.013	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CC[6]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.2960	0.000	1	108.2960	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6a]CC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]CC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5715	0.023	2	107.5715	0.001	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.2237	0.969	13	107.2237	0.940	13	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCdOO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCdOO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4180	0.000	1	107.4180	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CClHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CClHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.1612	0.152	4	108.1612	0.023	4	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.0675	1.243	25	108.0675	1.545	25	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CHHN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CHHN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6567	2.076	15	107.6567	4.309	15	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CHHO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CHHO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.3694	1.149	5	107.3694	1.319	5	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CHHP)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CHHP)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.3545	0.135	2	107.3545	0.018	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CMnOO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CMnOO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4510	0.000	1	107.4510	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.3728	1.520	9	107.3728	2.311	9	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(CF3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]N[6a])(CF3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7507	0.149	3	107.7507	0.022	3	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CAlCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CAlCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9360	0.000	1	107.9360	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CAlHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CAlHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6955	0.046	2	107.6955	0.002	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CBCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CBCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.3030	0.171	2	107.3030	0.029	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CBHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CBHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4931	0.184	7	107.4931	0.034	7	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CB[3]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CB[3]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4160	0.000	1	107.4160	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CB[3x3]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CB[3x3]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8310	0.000	1	107.8310	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CB[5]2H)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CB[5]2H)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5380	0.000	1	107.5380	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CB[5]3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CB[5]3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.2000	0.000	1	107.2000	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CB[5]BH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CB[5]BH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5670	0.000	1	107.5670	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CB[5]N[5]H)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CB[5]N[5]H)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7790	0.000	1	107.7790	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CBrCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CBrCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9240	0.107	4	107.9240	0.011	4	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6833	0.565	61	107.6833	0.319	61	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCCF)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCF)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6035	0.069	2	107.6035	0.005	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8234	0.845	179	107.8234	0.715	179	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCCN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4365	0.296	57	107.4365	0.087	57	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCCO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6066	0.138	9	107.6066	0.019	9	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCCS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4520	0.356	2	107.4520	0.127	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCFF)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCFF)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8003	0.068	4	107.8003	0.005	4	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCFH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCFH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.8095	1.660	2	108.8095	2.754	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCFS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCFS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.0480	0.000	1	108.0480	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6668	1.578	936	107.6668	2.489	936	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCHI)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHI)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7930	0.000	1	107.7930	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8434	1.470	780	107.8434	2.161	780	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8981	1.361	74	107.8981	1.854	74	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCHP)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHP)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7897	0.300	3	107.7897	0.090	3	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCHS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6937	0.395	4	107.6937	0.156	4	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCOO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCOO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7130	0.000	1	107.7130	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCPP)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCPP)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.0923	0.176	4	107.0923	0.031	4	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCSS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCSS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.3498	0.304	5	107.3498	0.093	5	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[3,5]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[3,5]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	105.9830	0.000	1	105.9830	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[3]CH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[3]CH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6240	0.000	2	107.6240	0.000	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[3]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[3]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5610	0.000	1	107.5610	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[3]HN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[3]HN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.2690	0.577	2	108.2690	0.333	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[3]HO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[3]HO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5490	0.000	1	107.5490	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[3x6]CO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[3x6]CO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4425	0.137	4	107.4425	0.019	4	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[3x6]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[3x6]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8822	0.088	4	107.8822	0.008	4	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[4,6]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[4,6]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7745	0.400	2	107.7745	0.160	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[4]ClH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[4]ClH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8350	0.000	1	107.8350	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[4]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[4]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4013	0.406	7	107.4013	0.165	7	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5,6]CH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5,6]CH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8060	0.099	5	107.8060	0.010	5	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5,6]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5,6]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8050	0.000	1	107.8050	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]2C)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]2C)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.3330	0.000	1	107.3330	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]CC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]CC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4350	0.000	1	107.4350	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]CH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]CH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5920	0.358	8	107.5920	0.128	8	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]CN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]CN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7290	0.000	1	107.7290	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]CO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]CO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4195	0.155	2	107.4195	0.024	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]ClH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]ClH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6830	0.000	1	107.6830	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8076	0.506	48	107.8076	0.256	48	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.3446	1.565	9	108.3446	2.448	9	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.9903	0.582	3	108.9903	0.339	3	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6370	0.000	1	107.6370	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]N[5]H)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]N[5]H)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4350	0.000	1	107.4350	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]RuH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]RuH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7120	0.008	2	107.7120	0.000	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]SS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]SS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.2345	0.119	4	107.2345	0.014	4	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]2H)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]2H)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.0055	0.398	2	108.0055	0.158	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]CC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]CC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5520	0.000	1	107.5520	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]CH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]CH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9718	0.125	6	107.9718	0.016	6	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7537	0.309	14	107.7537	0.096	14	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]HN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]HN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6954	0.221	25	107.6954	0.049	25	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]HO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]HO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7425	0.431	2	107.7425	0.185	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]HS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]HS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9870	0.000	1	107.9870	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6,6]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6,6]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.1745	0.400	2	108.1745	0.160	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]CC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]CC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	105.9647	2.557	6	105.9647	6.538	6	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]CH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.2800	0.382	11	107.2800	0.146	11	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]CO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]CO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6390	0.000	2	107.6390	0.000	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]FH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]FH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.3380	0.000	1	107.3380	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7502	1.133	66	107.7502	1.284	66	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9090	0.000	1	107.9090	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]ThP)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]ThP)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4030	0.000	1	107.4030	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]2H)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]2H)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.0968	0.694	4	108.0968	0.482	4	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]2O)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]2O)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.2865	1.042	2	108.2865	1.085	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]2S)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]2S)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4350	0.000	1	107.4350	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.1730	0.113	2	107.1730	0.013	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]BH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]BH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4460	0.000	1	107.4460	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5262	0.087	6	107.5262	0.008	6	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CF)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CF)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4853	0.126	4	107.4853	0.016	4	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4877	0.306	39	107.4877	0.093	39	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5988	0.105	6	107.5988	0.011	6	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.2584	2.738	5	107.2584	7.497	5	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]FH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]FH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8320	0.133	2	107.8320	0.018	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]FO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]FO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8390	0.000	1	107.8390	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6243	2.011	872	107.6243	4.044	872	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.3816	1.385	19	107.3816	1.917	19	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5507	0.559	10	107.5507	0.313	10	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HP)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HP)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6070	0.000	1	107.6070	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7120	0.403	2	107.7120	0.162	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]OP)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]OP)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5960	0.065	2	107.5960	0.004	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]SnH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]SnH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9820	0.000	1	107.9820	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CClCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CClCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6220	0.000	1	107.6220	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CClHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CClHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8577	0.447	4	107.8577	0.200	4	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCo2C)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCo2C)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.3940	0.000	1	107.3940	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCoHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCoHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7900	0.000	1	107.7900	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CF3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CF3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	103.8420	5.367	2	103.8420	28.804	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CFFN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CFFN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7240	0.000	1	107.7240	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CFFS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CFFS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9930	0.000	1	107.9930	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CFHS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CFHS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.2160	0.000	1	108.2160	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CFeCC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CFeCC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	105.5380	0.000	1	105.5380	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CFeCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CFeCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.0340	0.000	1	108.0340	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CGeHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CGeHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5437	0.149	3	107.5437	0.022	3	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6533	1.036	914	107.6533	1.072	914	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8478	1.328	321	107.8478	1.765	321	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6100	0.755	49	107.6100	0.570	49	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CHHP)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHP)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8761	0.240	12	107.8761	0.058	12	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CHHS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7626	0.231	36	107.7626	0.053	36	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CHNO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHNO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9200	0.000	1	107.9200	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CHNP)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHNP)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7742	0.236	5	107.7742	0.056	5	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CHOO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHOO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.0980	0.000	1	108.0980	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CHPP)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHPP)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6870	0.000	1	107.6870	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CHSS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHSS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4365	0.383	2	107.4365	0.146	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CMgNN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CMgNN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4803	0.242	3	107.4803	0.058	3	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CMnOO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CMnOO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8820	0.000	1	107.8820	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CMoHO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CMoHO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8590	0.000	1	107.8590	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CNOW)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNOW)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7520	0.000	1	107.7520	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CNPP)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNPP)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	106.8120	0.000	1	106.8120	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CNSY)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNSY)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.2680	0.000	1	107.2680	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CN[4]FF)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[4]FF)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9880	0.000	1	107.9880	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]2H)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]2H)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5450	0.753	5	107.5450	0.567	5	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]CC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]CC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6530	0.000	1	107.6530	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7702	0.189	25	107.7702	0.036	25	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8661	0.512	54	107.8661	0.262	54	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6106	0.859	16	107.6106	0.737	16	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9066	0.334	36	107.9066	0.112	36	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]CH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	106.6086	2.587	8	106.6086	6.693	8	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7564	0.879	52	107.7564	0.772	52	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CN[6a]CH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6a]CH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6880	0.038	2	107.6880	0.001	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CN[6a]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6a]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.0802	0.203	5	108.0802	0.041	5	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CNiCC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNiCC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9070	2.932	2	107.9070	8.595	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CNiCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNiCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5540	0.000	1	107.5540	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CNiOO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNiOO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.0750	0.000	1	108.0750	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(COWW)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COWW)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.0440	0.000	1	108.0440	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(COsHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COsHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6248	0.269	4	107.6248	0.072	4	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CPdCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CPdCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6315	0.025	2	107.6315	0.001	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CPtCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CPtCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.0922	0.241	12	108.0922	0.058	12	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CPtHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CPtHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	113.5830	8.628	2	113.5830	74.444	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CRhCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CRhCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.1420	0.000	1	108.1420	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CRhHO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CRhHO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.0330	0.000	1	108.0330	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CRuCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CRuCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9740	0.748	5	107.9740	0.559	5	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CRuOO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CRuOO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	109.5775	3.311	2	109.5775	10.965	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CSeCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CSeCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7050	0.000	1	107.7050	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CSiCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CSiCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.3570	0.000	1	107.3570	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CSiHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CSiHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9230	0.057	2	107.9230	0.003	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CSmOO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CSmOO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6627	0.322	6	107.6627	0.104	6	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CTeHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CTeHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9887	0.268	3	107.9887	0.072	3	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CTiNN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CTiNN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9450	0.000	1	107.9450	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CTiNO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CTiNO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.0090	0.718	2	107.0090	0.516	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CTiOO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CTiOO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	109.5520	0.907	2	109.5520	0.822	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6918	0.228	13	107.6918	0.052	13	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCCO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCCO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	105.9440	1.894	2	105.9440	3.586	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4907	1.845	45	107.4907	3.403	45	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4380	0.000	1	107.4380	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7503	0.251	3	107.7503	0.063	3	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[5]CC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[5]CC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4280	0.000	1	107.4280	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[5]HO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[5]HO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5505	0.437	4	107.5505	0.191	4	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6740	0.140	3	107.6740	0.020	3	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]2C)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]2C)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	106.9510	0.000	1	106.9510	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]2H)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]2H)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7660	0.000	1	107.7660	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]2O)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]2O)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5216	0.177	5	107.5216	0.031	5	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]CC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]CC)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5680	0.182	2	107.5680	0.033	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]CN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]CN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6670	0.000	1	107.6670	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]CO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5006	0.114	5	107.5006	0.013	5	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.0738	1.212	35	108.0738	1.469	35	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7445	0.334	2	107.7445	0.112	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5770	0.000	1	107.5770	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]SiH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]SiH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6440	0.000	1	107.6440	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	106.7383	6.907	48	106.7383	47.711	48	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8954	0.845	55	107.8954	0.715	55	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CHHO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9738	0.315	10	107.9738	0.099	10	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CHHS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHS)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.3380	0.000	1	108.3380	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CN[5]CH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CN[5]CH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7655	0.414	2	107.7655	0.171	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CN[5]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CN[5]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	109.0420	0.962	2	109.0420	0.925	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CN[5a]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CN[5a]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.0000	0.000	1	108.0000	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(CN[6]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CN[6]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7020	0.000	1	107.7020	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]O[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.1502	1.493	5	107.1502	2.229	5	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]O[6a])(CCHO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CCHO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6253	0.107	3	107.6253	0.011	3	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]O[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.2107	0.543	3	107.2107	0.295	3	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]O[6a])(CClCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CClCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5680	0.027	2	107.5680	0.001	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]O[6a])(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	106.2606	4.709	10	106.2606	22.170	10	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]S[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]S[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5570	0.000	1	107.5570	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]N[5,6a]C[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]N[5,6a]C[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.8350	0.085	2	107.8350	0.007	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(CCCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]N[5a,6a]C[6a])(CCCH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.5010	0.000	1	107.5010	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6590	0.174	6	107.6590	0.030	6	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]N[6a,6a]C[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]N[6a,6a]C[6a])(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7160	0.107	2	107.7160	0.012	2	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]N[6a]2)(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]N[6a]2)(CCHH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.1652	1.225	5	107.1652	1.500	5	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]N[6a]2)(CCHO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]N[6a]2)(CCHO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9390	0.000	1	107.9390	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]N[6a]2)(CC[5a]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]N[6a]2)(CC[5a]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.3430	0.000	1	107.3430	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]N[6a]2)(CC[6a]HO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]N[6a]2)(CC[6a]HO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.4380	0.000	1	107.4380	0.000	1	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]N[6a]2)(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]N[6a]2)(CH3)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7456	0.083	7	107.7456	0.007	7	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(C[6a]N[6a]2)(CN[6]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]N[6a]2)(CN[6]HH)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9058	0.178	6	107.9058	0.032	6	107.6986	2.386	5646	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[3]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[3]C[3]2C)(H)2	H(CC[6a]C[3]H)	H(CC[6a]C[3]H)	C(C[6a]C[6a]2)(C[3]C[3]2C)(H)2	H(CC[6a]C[3]H)	H(CC[6a]C[3]H)	107.6952	0.240	13	107.6952	0.057	13	107.7140	0.058	14	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[3]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]O[6a])(C[3]C[3]O[3]H)(H)2	H(CC[6a]C[3]H)	H(CC[6a]C[3]H)	C(C[6a]C[6a]O[6a])(C[3]C[3]O[3]H)(H)2	H(CC[6a]C[3]H)	H(CC[6a]C[3]H)	107.9580	0.000	1	107.9580	0.000	1	107.7140	0.058	14	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[4]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[4]C[4]2C)(H)2	H(CC[6a]C[4]H)	H(CC[6a]C[4]H)	C(C[6a]C[6a]2)(C[4]C[4]2C)(H)2	H(CC[6a]C[4]H)	H(CC[6a]C[4]H)	107.5940	0.000	1	107.5940	0.000	1	107.4518	0.016	4	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[4]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[4]C[4]2H)(H)2	H(CC[6a]C[4]H)	H(CC[6a]C[4]H)	C(C[6a]C[6a]2)(C[4]C[4]2H)(H)2	H(CC[6a]C[4]H)	H(CC[6a]C[4]H)	107.2900	0.000	1	107.2900	0.000	1	107.4518	0.016	4	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[4]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[4]C[4]2N)(H)2	H(CC[6a]C[4]H)	H(CC[6a]C[4]H)	C(C[6a]C[6a]2)(C[4]C[4]2N)(H)2	H(CC[6a]C[4]H)	H(CC[6a]C[4]H)	107.4615	0.030	2	107.4615	0.001	2	107.4518	0.016	4	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[5]C[5]2Rh)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[6a]C[5,6a]C[6a])(C[5]C[5]2Rh)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.8003	0.270	4	107.8003	0.073	4	107.6871	0.538	165	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.9400	0.000	1	107.9400	0.000	1	107.6871	0.538	165	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[3,5]O[5]H)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[3,5]O[5]H)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	108.3990	0.000	1	108.3990	0.000	1	107.6871	0.538	165	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]C)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]C)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.5650	0.000	1	107.5650	0.000	1	107.6871	0.538	165	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2C)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2C)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.3490	0.143	2	107.3490	0.020	2	107.6871	0.538	165	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.9690	0.000	1	107.9690	0.000	1	107.6871	0.538	165	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Sm)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Sm)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.4880	0.201	2	107.4880	0.040	2	107.6871	0.538	165	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.7340	0.117	2	107.7340	0.014	2	107.6871	0.538	165	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.4470	0.783	58	107.4470	0.613	58	107.6871	0.538	165	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.8481	0.856	49	107.8481	0.732	49	107.6871	0.538	165	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2N)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2N)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.5295	0.389	8	107.5295	0.152	8	107.6871	0.538	165	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2O)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2O)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.5020	0.096	4	107.5020	0.009	4	107.6871	0.538	165	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2S)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2S)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.9225	0.510	4	107.9225	0.261	4	107.6871	0.538	165	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2W)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2W)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.7378	0.376	4	107.7378	0.142	4	107.6871	0.538	165	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]3)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]3)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	108.7897	1.204	3	108.7897	1.448	3	107.6871	0.538	165	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2H)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]N[5]2H)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.4200	0.212	3	107.4200	0.045	3	107.6871	0.538	165	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2O)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]N[5]2O)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.8425	0.163	2	107.8425	0.027	2	107.6871	0.538	165	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[5]O[5]2C)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]O[5]2C)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.8937	0.589	4	107.8937	0.347	4	107.6871	0.538	165	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[5]C[5]2Fe)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]2Fe)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.9134	0.215	8	107.9134	0.046	8	107.6871	0.538	165	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[5]C[5]2W)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]2W)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.8457	0.345	3	107.8457	0.119	3	107.6871	0.538	165	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5]S)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5]S)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	108.0490	0.000	1	108.0490	0.000	1	107.6871	0.538	165	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2H)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2H)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.8230	0.000	1	107.8230	0.000	1	107.3987	8.593	145	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]C)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]C)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	106.9670	0.000	1	106.9670	0.000	1	107.3987	8.593	145	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	106.7120	0.000	1	106.7120	0.000	1	107.3987	8.593	145	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(C[6]C[6]2N)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6a]C[5a,6a]C[6a])(C[6]C[6]2N)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.3460	0.000	1	107.3460	0.000	1	107.3987	8.593	145	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.6960	0.000	1	107.6960	0.000	1	107.3987	8.593	145	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2H)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2H)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.2670	0.000	1	107.2670	0.000	1	107.3987	8.593	145	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2C)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2C)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.6110	0.000	1	107.6110	0.000	1	107.3987	8.593	145	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.5220	0.000	1	107.5220	0.000	1	107.3987	8.593	145	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]C)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]C)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.6870	0.000	1	107.6870	0.000	1	107.3987	8.593	145	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	108.0000	0.000	1	108.0000	0.000	1	107.3987	8.593	145	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.7903	0.848	43	107.7903	0.719	43	107.3987	8.593	145	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2F)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2F)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.5560	0.000	1	107.5560	0.000	1	107.3987	8.593	145	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	106.9565	4.464	60	106.9565	19.923	60	107.3987	8.593	145	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.5838	0.289	14	107.5838	0.084	14	107.3987	8.593	145	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.5083	0.141	6	107.5083	0.020	6	107.3987	8.593	145	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[6]N[6]2H)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]N[6]2H)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	109.5490	0.000	1	109.5490	0.000	1	107.3987	8.593	145	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[6]O[6]2C)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]O[6]2C)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.3433	0.274	3	107.3433	0.075	3	107.3987	8.593	145	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[6]S[6]2C)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]S[6]2C)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.9050	0.000	1	107.9050	0.000	1	107.3987	8.593	145	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6]C[6]2Cr)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]2Cr)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	108.1350	0.000	1	108.1350	0.000	1	107.3987	8.593	145	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	108.1005	0.909	4	108.1005	0.827	4	107.3987	8.593	145	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]O[6a])(C[6]C[6]2C)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6a]C[6a]O[6a])(C[6]C[6]2C)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.0020	0.000	1	107.0020	0.000	1	107.3987	8.593	145	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(NCCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[5,6a]C[6a])(NCCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.4800	0.000	1	107.4800	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(NCCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[5a,6a]C[6a])(NCCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0353	0.089	3	108.0353	0.008	3	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(NCHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[5a,6a]C[6a])(NCHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0460	0.000	1	108.0460	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(NCuCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[5a,6a]C[6a])(NCuCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7950	0.000	1	107.7950	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(NAgCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6,6a]C[6a])(NAgCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0270	0.000	1	108.0270	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(NCdCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6,6a]C[6a])(NCdCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6330	0.051	2	107.6330	0.003	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(NCuCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6,6a]C[6a])(NCuCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5930	0.000	1	107.5930	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(NH3)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6,6a]C[6a])(NH3)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	125.0650	0.000	1	125.0650	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(NNiCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6,6a]C[6a])(NNiCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.3700	0.000	1	107.3700	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(NZnCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6,6a]C[6a])(NZnCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6063	0.083	3	107.6063	0.007	3	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(NC3)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NC3)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	109.2920	0.000	1	109.2920	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(NCCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.7304	0.818	10	108.7304	0.670	10	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(NCHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NCHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8684	0.144	13	107.8684	0.021	13	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(NCdCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NCdCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.4435	0.159	2	107.4435	0.025	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(NCuCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NCuCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.4400	0.000	1	107.4400	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(NPtCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NPtCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5390	0.000	1	107.5390	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(NPtCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NPtCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6840	0.290	2	107.6840	0.084	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(NRuCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NRuCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.3715	0.006	2	107.3715	0.000	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6,6a])(NAgCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6,6a])(NAgCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9520	0.000	1	107.9520	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC3)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC3)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9740	0.375	2	107.9740	0.140	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9365	0.064	2	107.9365	0.004	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0075	0.198	4	108.0075	0.039	4	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6a]HH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC[6a]HH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	109.7800	2.729	2	109.7800	7.450	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6a]IrH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC[6a]IrH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5800	0.000	1	107.5800	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6a]MoH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC[6a]MoH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.0010	0.000	1	107.0010	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCoCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCoCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7280	0.132	2	107.7280	0.017	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCuCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCuCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.4490	0.272	2	107.4490	0.074	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCuCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCuCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6475	0.057	2	107.6475	0.003	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NH3)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NH3)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.3631	1.193	18	108.3631	1.424	18	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NIrCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NIrCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.2530	0.000	1	108.2530	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NPdCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NPdCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7317	0.022	3	107.7317	0.000	3	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NReCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NReCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.1930	0.086	2	107.1930	0.007	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NAgCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAgCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6281	0.215	15	107.6281	0.046	15	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NAgCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAgCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9525	0.066	2	107.9525	0.004	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NAl3)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAl3)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5200	0.032	3	107.5200	0.001	3	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NAlCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAlCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6526	0.589	51	107.6526	0.347	51	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NAlCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAlCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.7730	1.136	4	108.7730	1.290	4	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NAlCrC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAlCrC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0760	0.000	1	108.0760	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NAlHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAlHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9930	0.109	2	107.9930	0.012	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NAlSiH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAlSiH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.4090	0.000	1	107.4090	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NBCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NBCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.1040	0.000	1	107.1040	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NBCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NBCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8165	0.477	2	107.8165	0.228	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NBHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NBHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.2254	0.634	5	108.2254	0.402	5	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NB[6a]HH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NB[6a]HH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0747	0.106	3	108.0747	0.011	3	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NBiCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NBiCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.2264	0.582	60	108.2264	0.338	60	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6286	0.752	152	107.6286	0.566	152	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9177	0.743	141	107.9177	0.552	141	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCCO)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCO)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.4900	0.000	1	107.4900	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCCV)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCV)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5272	0.523	18	107.5272	0.273	18	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCCW)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCW)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5270	0.067	3	107.5270	0.005	3	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0086	1.258	313	108.0086	1.583	313	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCOY)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCOY)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.2330	0.426	2	107.2330	0.181	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[3x6]FeH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[3x6]FeH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.2820	0.000	1	108.2820	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[3x6]HH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[3x6]HH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8932	0.060	5	107.8932	0.004	5	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[5,6]HH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5,6]HH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	109.2857	2.477	3	109.2857	6.137	3	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]CH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]CH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	109.3778	1.219	6	109.3778	1.487	6	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]HH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]HH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8885	0.033	2	107.8885	0.001	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]OsH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]OsH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5060	0.000	1	107.5060	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]RuH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]RuH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7490	0.000	1	107.7490	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]Al2)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]Al2)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6880	0.000	1	107.6880	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]AlC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]AlC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9965	0.132	2	107.9965	0.017	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]AlH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]AlH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0077	0.039	6	108.0077	0.002	6	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]CH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]CH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8873	0.266	3	107.8873	0.071	3	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]CuC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]CuC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9816	0.892	10	107.9816	0.795	10	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]CuH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]CuH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.1648	1.602	11	108.1648	2.565	11	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]FeC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]FeC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.0373	0.296	3	107.0373	0.088	3	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]FeH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]FeH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5880	0.000	1	107.5880	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]HH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]HH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.7689	2.107	10	108.7689	4.441	10	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]MnC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]MnC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.2100	0.505	2	107.2100	0.255	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]NiC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]NiC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.1280	0.334	2	107.1280	0.111	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]NiH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]NiH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0104	0.271	7	108.0104	0.073	7	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]PdC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]PdC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6310	0.238	2	107.6310	0.056	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]PdH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]PdH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5280	0.357	4	107.5280	0.128	4	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]RuH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]RuH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7855	0.282	2	107.7855	0.080	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]SbC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]SbC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9945	0.219	4	107.9945	0.048	4	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]ZnC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]ZnC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6339	0.105	15	107.6339	0.011	15	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]ZnH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]ZnH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7888	0.128	5	107.7888	0.016	5	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]Al2)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]Al2)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.1500	0.000	1	107.1500	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]AlC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]AlC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0495	0.244	2	108.0495	0.060	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]AlH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]AlH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8210	0.243	2	107.8210	0.059	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]CH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]CH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.1671	1.457	10	107.1671	2.124	10	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]CoC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]CoC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8529	0.333	8	107.8529	0.111	8	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]CrH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]CrH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8760	0.000	1	107.8760	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]FeC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]FeC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.1764	0.703	5	108.1764	0.495	5	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]FeH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]FeH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	104.7845	0.269	2	104.7845	0.073	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9533	0.173	24	107.9533	0.030	24	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]Li2)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]Li2)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6020	0.576	2	107.6020	0.331	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]NiH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]NiH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.2130	0.156	4	108.2130	0.024	4	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]PdC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]PdC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.2915	0.619	2	107.2915	0.383	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]ReH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]ReH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8575	0.053	2	107.8575	0.003	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]SbC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]SbC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9858	0.204	6	107.9858	0.042	6	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCa2H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCa2H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6080	0.000	1	107.6080	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCaCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCaCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7605	1.742	2	107.7605	3.033	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCdCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCdCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.4438	0.208	10	107.4438	0.043	10	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCoCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7516	0.470	67	107.7516	0.221	67	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCoCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7291	1.127	43	107.7291	1.269	43	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCoHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7107	0.138	3	107.7107	0.019	3	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCrCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCrCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6252	0.388	22	107.6252	0.151	22	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCrCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCrCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9380	0.000	1	107.9380	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCuCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7157	1.124	102	107.7157	1.263	102	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCuCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8531	0.527	63	107.8531	0.278	63	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NCuLiC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuLiC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.2120	0.251	4	107.2120	0.063	4	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NFeCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6403	0.306	134	107.6403	0.094	134	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NFeCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.1210	2.270	37	108.1210	5.154	37	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NFeHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5110	0.383	2	107.5110	0.147	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NH3)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NH3)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0611	1.460	191	108.0611	2.131	191	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NHHN)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NHHN)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0950	0.059	2	108.0950	0.004	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NHgCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NHgCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6352	0.276	4	107.6352	0.076	4	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NInHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NInHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5520	0.051	2	107.5520	0.003	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NIrCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NIrCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.3022	0.390	13	108.3022	0.152	13	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NIrCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NIrCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7760	0.000	1	107.7760	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NIrHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NIrHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.7105	1.037	2	108.7105	1.076	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NLi2C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NLi2C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.4910	0.000	1	107.4910	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NLiCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NLiCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6829	0.147	15	107.6829	0.022	15	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NMg2C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMg2C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.4020	0.807	3	107.4020	0.652	3	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NMg2H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMg2H)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5360	0.000	1	107.5360	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NMgCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMgCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7058	1.151	29	107.7058	1.325	29	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NMnCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMnCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7774	0.848	39	107.7774	0.720	39	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NMnCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMnCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5930	0.300	5	107.5930	0.090	5	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NMoCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMoCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6104	0.269	16	107.6104	0.072	16	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NMoCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMoCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.7771	1.939	8	108.7771	3.760	8	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NNiCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7538	0.747	150	107.7538	0.558	150	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NNiCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6404	0.829	58	107.6404	0.687	58	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NNiHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9530	0.062	2	107.9530	0.004	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NOsHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NOsHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.1680	0.000	1	108.1680	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NPbCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPbCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6875	0.323	4	107.6875	0.104	4	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.1874	0.554	197	108.1874	0.307	197	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NPdCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9079	0.288	19	107.9079	0.083	19	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NPdHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9021	0.391	11	107.9021	0.153	11	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NPtCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPtCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.2125	0.169	65	108.2125	0.029	65	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NPtCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPtCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.3830	0.716	2	107.3830	0.512	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NReCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NReCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.3990	0.261	7	107.3990	0.068	7	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NReCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NReCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8570	0.000	1	107.8570	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NRhCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRhCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5937	0.805	14	107.5937	0.648	14	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NRhCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRhCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0210	0.280	3	108.0210	0.078	3	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NRuCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRuCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.4302	0.251	5	107.4302	0.063	5	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NRuCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRuCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8295	0.301	6	107.8295	0.090	6	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NRuHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRuHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.7167	2.309	6	108.7167	5.332	6	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NSbCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSbCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0585	0.183	45	108.0585	0.034	45	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NSmCO)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSmCO)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7107	0.439	4	107.7107	0.193	4	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NSn2C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSn2C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.2490	0.000	1	107.2490	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NSnCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSnCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9410	0.181	50	107.9410	0.033	50	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NSrCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSrCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	112.0830	0.000	1	112.0830	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NTeCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NTeCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.2240	0.000	1	108.2240	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NTiCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NTiCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6063	0.645	7	107.6063	0.416	7	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NTiHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NTiHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6545	0.223	2	107.6545	0.050	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NZn2C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZn2C)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.2530	0.000	1	108.2530	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NZnCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6385	0.452	74	107.6385	0.204	74	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NZnCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9606	1.083	55	107.9606	1.173	55	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NZnHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.4450	0.144	4	107.4450	0.021	4	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NZrCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZrCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.1830	0.000	1	108.1830	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NBCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NBCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9790	0.024	2	107.9790	0.001	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC3)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC3)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6060	0.000	1	107.6060	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.1190	1.781	8	108.1190	3.172	8	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCCV)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCCV)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.0120	0.000	1	107.0120	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCHH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0453	0.410	34	108.0453	0.168	34	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[3x6]HH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[3x6]HH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7120	0.000	1	107.7120	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[5]HH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[5]HH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9960	0.000	1	107.9960	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6]CH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6]CH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	109.7425	2.584	2	109.7425	6.680	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCdCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCdCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.3700	0.000	1	107.3700	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCoCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCoCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6253	0.113	3	107.6253	0.013	3	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCoCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCoCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6800	0.286	3	107.6800	0.082	3	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCuCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCuCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.0593	0.214	6	108.0593	0.046	6	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NFeCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NFeCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8659	0.678	7	107.8659	0.460	7	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NH3)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NH3)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.6206	0.604	10	107.6206	0.365	10	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NIrCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NIrCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.4645	0.138	2	107.4645	0.019	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NMnCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NMnCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	106.2410	1.746	3	106.2410	3.049	3	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NMoCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NMoCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5480	0.000	1	107.5480	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NNiCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NNiCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.5190	0.000	1	107.5190	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NPdCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NPdCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.8573	1.474	3	107.8573	2.174	3	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NReCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NReCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.3400	1.537	2	108.3400	2.363	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NReCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NReCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.7220	0.000	1	107.7220	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NRhCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NRhCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	104.4680	0.000	1	104.4680	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NRuCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NRuCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.4955	0.250	2	107.4955	0.062	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NZnCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NZnCC)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.4715	1.380	2	108.4715	1.903	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(NZnCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NZnCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	108.1840	0.000	1	108.1840	0.000	1	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]O[6a])(NCCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(C[6a]C[6a]O[6a])(NCCH)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	106.7710	0.287	2	106.7710	0.082	2	107.8941	0.977	2771	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N[4]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2H)(H)2	H(CC[6a]N[4]H)	H(CC[6a]N[4]H)	C(C[6a]C[6a]2)(N[4]C[4]2H)(H)2	H(CC[6a]N[4]H)	H(CC[6a]N[4]H)	109.4500	0.000	1	109.4500	0.000	1	109.4500	0.000	1	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(N[5]C[5]2Ni)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]2)(N[5]C[5]2Ni)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.4940	0.000	1	107.4940	0.000	1	107.6013	0.046	12	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2H)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2H)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.9380	0.000	1	107.9380	0.000	1	107.6013	0.046	12	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2B)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2B)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.3900	0.000	1	107.3900	0.000	1	107.6013	0.046	12	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.4483	0.166	3	107.4483	0.028	3	107.6013	0.046	12	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.6942	0.244	4	107.6942	0.059	4	107.6013	0.046	12	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2Ni)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2Ni)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.6360	0.034	2	107.6360	0.001	2	107.6013	0.046	12	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.4184	0.109	8	107.4184	0.012	8	107.9542	1.751	55	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:N[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	108.0454	1.413	47	108.0454	1.995	47	107.9542	1.751	55	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:Nb-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NbCCN)(H)2	H(CC[6a]NbH)	H(CC[6a]NbH)	C(C[6a]C[6a]2)(NbCCN)(H)2	H(CC[6a]NbH)	H(CC[6a]NbH)	110.8890	0.000	1	110.8890	0.000	1	110.8890	0.000	1	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:O-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OMnNi2)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OMnNi2)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.3270	0.000	1	107.3270	0.000	1	107.5360	0.087	2	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:O-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(ONi3)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ONi3)(H)2	H(CC[6a]HO)	H(CC[6a]HO)	107.7450	0.000	1	107.7450	0.000	1	107.5360	0.087	2	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(PC[6a]2O)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[5,6a]C[6a])(PC[6a]2O)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.6060	0.245	2	107.6060	0.060	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(PC[6a]2Pd)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[5,6a]C[6a])(PC[6a]2Pd)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.4895	0.598	2	107.4895	0.357	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(PC[6a]2Zr)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[5,6a]C[6a])(PC[6a]2Zr)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.9605	0.917	4	107.9605	0.840	4	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(PZrCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[5,6a]C[6a])(PZrCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.4280	0.000	1	107.4280	0.000	1	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(PC[3x6]2Fe)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[5a,6a]C[6a])(PC[3x6]2Fe)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.2480	0.136	2	107.2480	0.018	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(PC[6a]2Ni)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[5a,6a]C[6a])(PC[6a]2Ni)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.1467	0.078	4	108.1467	0.006	4	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(PC[6a]2O)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[5a,6a]C[6a])(PC[6a]2O)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.9275	0.340	2	107.9275	0.116	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(PC[6a]2Pd)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[5a,6a]C[6a])(PC[6a]2Pd)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.4310	0.167	2	108.4310	0.028	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(PFeCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[5a,6a]C[6a])(PFeCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.4273	0.521	11	107.4273	0.272	11	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(PLiCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[5a,6a]C[6a])(PLiCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.4565	2.286	2	108.4565	5.226	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(PTiCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[5a,6a]C[6a])(PTiCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.5660	0.866	4	108.5660	0.751	4	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(PC[6]2Ru)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6,6a]C[6a])(PC[6]2Ru)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.2485	0.037	2	108.2485	0.001	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(PO3)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6,6a]C[6a])(PO3)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.6505	0.141	2	107.6505	0.020	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(PRuCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6,6a]C[6a])(PRuCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.3270	0.040	4	108.3270	0.002	4	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(PO3)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]2)(PO3)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.4654	0.306	5	107.4654	0.094	5	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PC3)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PC3)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.7125	0.209	2	107.7125	0.044	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6]2C)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PC[6]2C)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.5775	0.491	2	107.5775	0.242	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6]2Ru)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PC[6]2Ru)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	106.6120	0.000	1	106.6120	0.000	1	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6a]2Pd)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PC[6a]2Pd)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	103.5345	2.512	2	103.5345	6.312	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6a]3)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PC[6a]3)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	106.8975	0.071	2	106.8975	0.005	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6a]BC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PC[6a]BC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.6230	0.000	1	107.6230	0.000	1	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6a]BH)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PC[6a]BH)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.5670	0.096	2	107.5670	0.009	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6a]OO)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PC[6a]OO)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.3250	0.000	1	108.3250	0.000	1	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PO3)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PO3)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.3051	3.237	8	108.3051	10.480	8	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PPdCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PPdCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.0090	0.064	2	107.0090	0.004	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PPtCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PPtCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.2600	0.000	1	108.2600	0.000	1	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PBCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PBCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.0360	0.836	2	108.0360	0.699	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PBCO)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PBCO)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.5470	0.000	1	107.5470	0.000	1	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PBrCW)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PBrCW)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.5520	0.000	1	107.5520	0.000	1	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC3)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC3)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.4472	0.456	11	107.4472	0.208	11	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PCCH)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PCCH)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.8190	0.189	4	107.8190	0.036	4	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PCCO)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PCCO)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.3199	0.274	7	107.3199	0.075	7	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PCHO)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PCHO)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.9700	0.147	2	107.9700	0.022	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PCOO)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PCOO)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.4800	0.127	2	107.4800	0.016	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[3x6]2Pt)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[3x6]2Pt)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.4195	0.186	4	108.4195	0.034	4	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[5]2Pd)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[5]2Pd)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.2130	0.116	2	108.2130	0.013	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[5]BC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[5]BC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.6710	1.677	2	108.6710	2.813	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[5]RuC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[5]RuC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.8443	0.252	4	107.8443	0.064	4	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6]2Ni)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6]2Ni)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.4575	0.020	4	108.4575	0.000	4	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6]2O)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6]2O)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.8525	0.197	2	107.8525	0.039	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6]HO)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6]HO)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.2410	0.000	1	108.2410	0.000	1	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Au)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Au)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.8250	0.000	1	107.8250	0.000	1	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2B)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2B)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.9970	0.000	1	107.9970	0.000	1	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2C)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2C)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.0960	0.000	1	107.0960	0.000	1	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Co)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Co)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.8422	0.218	10	108.8422	0.048	10	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Cu)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Cu)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.0770	0.021	2	108.0770	0.000	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Fe)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Fe)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.7975	0.032	2	107.7975	0.001	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Hf)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Hf)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.4190	0.000	1	107.4190	0.000	1	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Ir)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Ir)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.0074	0.700	14	108.0074	0.491	14	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Mg)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Mg)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.3810	1.901	4	108.3810	3.615	4	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Mn)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Mn)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.9875	0.405	2	107.9875	0.164	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2N)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2N)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.5010	0.000	1	107.5010	0.000	1	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Ni)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Ni)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.5519	1.037	7	108.5519	1.075	7	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.0307	0.893	12	108.0307	0.797	12	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.4075	0.689	22	108.4075	0.475	22	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pt)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Pt)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.5783	0.540	15	107.5783	0.292	15	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Re)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Re)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.2968	0.507	4	108.2968	0.258	4	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Rh)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Rh)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.5956	0.195	5	107.5956	0.038	5	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Ru)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Ru)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.8918	0.589	12	107.8918	0.347	12	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2S)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2S)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.8860	0.000	2	107.8860	0.000	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Se)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Se)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.3893	0.535	3	107.3893	0.286	3	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Zr)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Zr)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.3683	0.577	3	107.3683	0.333	3	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.8216	1.245	85	107.8216	1.551	85	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]BC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]BC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.4210	0.159	8	107.4210	0.025	8	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]CC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]CC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.8470	0.062	4	107.8470	0.004	4	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]CO)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]CO)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.8100	0.000	1	107.8100	0.000	1	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]CS)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]CS)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.2780	0.000	1	107.2780	0.000	1	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]CoC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]CoC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.7305	0.469	2	107.7305	0.220	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]FeH)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]FeH)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	109.5070	0.000	1	109.5070	0.000	1	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]HO)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]HO)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.0720	0.000	1	108.0720	0.000	1	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]NiC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]NiC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	109.4640	0.000	1	109.4640	0.000	1	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]OO)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]OO)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.7663	0.163	6	107.7663	0.027	6	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]PdC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]PdC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.5698	0.137	6	107.5698	0.019	6	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PClBC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PClBC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	105.8685	5.130	2	105.8685	26.318	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PCuCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PCuCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.5215	0.605	29	107.5215	0.366	29	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PFe2C)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PFe2C)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.4385	0.029	2	107.4385	0.001	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PFeCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PFeCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.2160	0.155	3	107.2160	0.024	3	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PFeCN)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PFeCN)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	101.0850	0.000	1	101.0850	0.000	1	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PHgCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PHgCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.0580	0.098	3	108.0580	0.010	3	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PIrCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PIrCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.3938	0.979	193	108.3938	0.958	193	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PN[5a]2Rh)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PN[5a]2Rh)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.7899	0.205	11	108.7899	0.042	11	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PNiCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PNiCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.4765	0.428	43	108.4765	0.184	43	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PO3)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PO3)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.6238	0.506	58	107.6238	0.256	58	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(POsCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(POsCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.7493	0.165	8	108.7493	0.027	8	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PPdCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PPdCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.0117	0.988	128	108.0117	0.976	128	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PPdOO)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PPdOO)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.1960	0.000	1	107.1960	0.000	1	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PPtCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PPtCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.4251	0.600	46	107.4251	0.361	46	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PReCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PReCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.7088	0.611	5	107.7088	0.374	5	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PRhCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PRhCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.0580	1.106	23	108.0580	1.224	23	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PRuCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PRuCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.3223	1.320	42	108.3223	1.743	42	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PRuCO)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PRuCO)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	109.5685	1.768	2	109.5685	3.128	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PSeCH)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PSeCH)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.5110	0.000	1	107.5110	0.000	1	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(PAuCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PAuCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.2475	0.049	2	107.2475	0.002	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(PBCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PBCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.4495	0.469	2	107.4495	0.220	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(PCCN)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PCCN)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.3420	0.000	1	107.3420	0.000	1	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(PCCS)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PCCS)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.2203	0.060	3	107.2203	0.004	3	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2C)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]2C)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.5210	0.221	2	107.5210	0.049	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2F)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]2F)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.7140	0.348	2	107.7140	0.121	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2Fe)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]2Fe)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.7775	0.077	2	107.7775	0.006	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2O)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]2O)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.8956	0.424	5	107.8956	0.180	5	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2Pd)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]2Pd)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.6730	0.000	1	107.6730	0.000	1	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2S)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]2S)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.8080	0.092	2	107.8080	0.008	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2Se)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]2Se)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.7070	0.000	1	107.7070	0.000	1	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]BC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]BC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	109.4975	0.016	2	109.4975	0.000	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]PdC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]PdC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.7760	0.177	3	107.7760	0.031	3	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]RuC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]RuC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.3070	0.750	2	108.3070	0.562	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(PCrCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PCrCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.4290	0.000	1	107.4290	0.000	1	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(PCuCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PCuCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.9880	0.025	2	107.9880	0.001	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(PO3)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PO3)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	111.8940	0.000	1	111.8940	0.000	1	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(PRhCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PRhCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.0945	0.080	2	107.0945	0.006	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(PRuCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PRuCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.2455	0.199	2	107.2455	0.039	2	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(PZnCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PZnCC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.8720	0.207	6	107.8720	0.043	6	107.9995	1.048	1007	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(P[5]C[5]2B)(H)2	H(CC[6a]P[5]H)	H(CC[6a]P[5]H)	C(C[6a]C[5a,6a]C[6a])(P[5]C[5]2B)(H)2	H(CC[6a]P[5]H)	H(CC[6a]P[5]H)	107.1650	0.000	1	107.1650	0.000	1	108.2250	1.216	5	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(P[5]C[5]2Ni)(H)2	H(CC[6a]P[5]H)	H(CC[6a]P[5]H)	C(C[6a]C[5a,6a]C[6a])(P[5]C[5]2Ni)(H)2	H(CC[6a]P[5]H)	H(CC[6a]P[5]H)	108.2300	0.296	2	108.2300	0.087	2	108.2250	1.216	5	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(P[5]C[5]2S)(H)2	H(CC[6a]P[5]H)	H(CC[6a]P[5]H)	C(C[6a]C[6a]N[6a])(P[5]C[5]2S)(H)2	H(CC[6a]P[5]H)	H(CC[6a]P[5]H)	108.7500	1.761	2	108.7500	3.100	2	108.2250	1.216	5	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(P[6]O[6]2O)(H)2	H(CC[6a]P[6]H)	H(CC[6a]P[6]H)	C(C[6a]C[6a,6a]2)(P[6]O[6]2O)(H)2	H(CC[6a]P[6]H)	H(CC[6a]P[6]H)	107.3270	0.000	1	107.3270	0.000	1	107.5821	0.031	7	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(P[6]O[6]2O)(H)2	H(CC[6a]P[6]H)	H(CC[6a]P[6]H)	C(C[6a]C[6a,6a]C[6a])(P[6]O[6]2O)(H)2	H(CC[6a]P[6]H)	H(CC[6a]P[6]H)	107.6150	0.000	1	107.6150	0.000	1	107.5821	0.031	7	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(P[6]C[6]2C)(H)2	H(CC[6a]P[6]H)	H(CC[6a]P[6]H)	C(C[6a]C[6a]2)(P[6]C[6]2C)(H)2	H(CC[6a]P[6]H)	H(CC[6a]P[6]H)	107.5250	0.018	2	107.5250	0.000	2	107.5821	0.031	7	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(P[6]C[6]2Pd)(H)2	H(CC[6a]P[6]H)	H(CC[6a]P[6]H)	C(C[6a]C[6a]N[6a])(P[6]C[6]2Pd)(H)2	H(CC[6a]P[6]H)	H(CC[6a]P[6]H)	107.7390	0.256	2	107.7390	0.066	2	107.5821	0.031	7	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:P[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(P[6]O[6]2O)(H)2	H(CC[6a]P[6]H)	H(CC[6a]P[6]H)	C(C[6a]C[6a]N[6a])(P[6]O[6]2O)(H)2	H(CC[6a]P[6]H)	H(CC[6a]P[6]H)	107.6050	0.000	1	107.6050	0.000	1	107.5821	0.031	7	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:S-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SCOO)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCOO)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.3492	0.750	13	108.3492	0.562	13	108.2056	0.614	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:S-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SC[5]OO)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5]OO)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.3640	0.000	1	108.3640	0.000	1	108.2056	0.614	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:S-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SC[6]OO)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6]OO)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.6823	0.395	3	107.6823	0.156	3	108.2056	0.614	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:S-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]NO)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]NO)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.8013	0.003	6	107.8013	0.000	6	108.2056	0.614	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:S-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]OO)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]OO)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.2685	0.714	18	108.2685	0.510	18	108.2056	0.614	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:S-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]PdO)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]PdO)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.6750	0.021	2	108.6750	0.000	2	108.2056	0.614	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:S-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SIrCO)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SIrCO)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.3222	0.343	6	108.3222	0.118	6	108.2056	0.614	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:S-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SNOO)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SNOO)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.0992	0.358	8	108.0992	0.129	8	108.2056	0.614	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:S-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SN[5]OO)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SN[5]OO)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.7215	0.118	2	107.7215	0.014	2	108.2056	0.614	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:S-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SN[6]OO)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SN[6]OO)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	110.2650	2.533	3	110.2650	6.414	3	108.2056	0.614	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:S-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SO3)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SO3)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	107.8944	0.134	16	107.8944	0.018	16	108.2056	0.614	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:S-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC[6a]OO)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC[6a]OO)(H)2	H(CC[6a]HS)	H(CC[6a]HS)	108.0250	0.000	1	108.0250	0.000	1	108.2056	0.614	79	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(SiC3)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	C(C[6a]C[6a,6a]2)(SiC3)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	107.3695	0.309	2	107.3695	0.095	2	107.6873	0.389	59	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(SiC3)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	C(C[6a]C[6a,6a]C[6a])(SiC3)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	107.4660	0.197	2	107.4660	0.039	2	107.6873	0.389	59	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiC3)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	108.0542	0.919	11	108.0542	0.844	11	107.6873	0.389	59	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SiCCH)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiCCH)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	107.4158	0.410	10	107.4158	0.168	10	107.6873	0.389	59	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SiCCO)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiCCO)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	107.3026	0.434	5	107.3026	0.188	5	107.6873	0.389	59	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SiC[6]CC)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiC[6]CC)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	107.7350	0.000	1	107.7350	0.000	1	107.6873	0.389	59	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SiC[6a]2C)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiC[6a]2C)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	108.1795	1.060	2	108.1795	1.124	2	107.6873	0.389	59	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SiC[6a]2Fe)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiC[6a]2Fe)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	107.8650	0.000	1	107.8650	0.000	1	107.6873	0.389	59	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SiC[6a]2H)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiC[6a]2H)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	107.3085	0.021	2	107.3085	0.000	2	107.6873	0.389	59	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SiC[6a]CC)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiC[6a]CC)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	108.0180	0.000	1	108.0180	0.000	1	107.6873	0.389	59	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SiC[6a]CoO)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiC[6a]CoO)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	108.2080	0.000	1	108.2080	0.000	1	107.6873	0.389	59	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SiC[6a]FeC)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiC[6a]FeC)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	108.1590	0.000	1	108.1590	0.000	1	107.6873	0.389	59	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SiIrCC)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiIrCC)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	107.8497	0.570	10	107.8497	0.325	10	107.6873	0.389	59	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SiPtCC)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiPtCC)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	107.4160	0.000	1	107.4160	0.000	1	107.6873	0.389	59	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SiRhCC)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiRhCC)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	107.5388	0.737	5	107.5388	0.543	5	107.6873	0.389	59	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	C[6a]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(SiC[6a]2C)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	C(C[6a]C[6a]N[6a])(SiC[6a]2C)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	107.5105	0.299	4	107.5105	0.090	4	107.6873	0.389	59	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Ga-3:C-4:H-1:H-1:	C-4:	C-4:	C(GaCC)(CC3)(H)2	H(CGaCH)	H(CGaCH)	C(GaCC)(CC3)(H)2	H(CGaCH)	H(CGaCH)	106.8770	0.263	2	106.8770	0.069	2	107.3222	0.148	6	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Ga-3:C-4:H-1:H-1:	C-4:	C-4:	C(GaCC)(CH3)(H)2	H(CGaCH)	H(CGaCH)	C(GaCC)(CH3)(H)2	H(CGaCH)	H(CGaCH)	107.4933	0.147	3	107.4933	0.022	3	107.3222	0.148	6	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Ga-3:C-4:H-1:H-1:	C-4:	C-4:	C(GaC[6a]2)(CH3)(H)2	H(CGaCH)	H(CGaCH)	C(GaC[6a]2)(CH3)(H)2	H(CGaCH)	H(CGaCH)	107.6990	0.000	1	107.6990	0.000	1	107.3222	0.148	6	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Ga[6,6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(Ga[6,6]C[3x6]2)(CH3)(H)2	H(CGa[6,6]CH)	H(CGa[6,6]CH)	C(Ga[6,6]C[3x6]2)(CH3)(H)2	H(CGa[6,6]CH)	H(CGa[6,6]CH)	107.4996	0.262	5	107.4996	0.068	5	107.4996	0.068	5	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Ge-3:C-4:H-1:H-1:	C-4:	C-4:	C(GeMoC)(CH3)(H)2	H(CGeCH)	H(CGeCH)	C(GeMoC)(CH3)(H)2	H(CGeCH)	H(CGeCH)	107.9890	0.000	1	107.9890	0.000	1	107.9890	0.000	1	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Ge[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(Ge[6]P[6]2)(PC[6a]2B)(H)2	H(CGe[6]HP)	H(CGe[6]HP)	C(Ge[6]P[6]2)(PC[6a]2B)(H)2	H(CGe[6]HP)	H(CGe[6]HP)	107.7920	0.000	1	107.7920	0.000	1	107.7920	0.000	1	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	In-3:C-4:H-1:H-1:	C-4:	C-4:	C(InCS)(CH3)(H)2	H(CInCH)	H(CInCH)	C(InCS)(CH3)(H)2	H(CInCH)	H(CInCH)	107.4040	0.243	2	107.4040	0.059	2	107.9080	1.043	4	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	In-3:C-4:H-1:H-1:	C-4:	C-4:	C(InClC)(CCHH)(H)2	H(CInCH)	H(CInCH)	C(InClC)(CCHH)(H)2	H(CInCH)	H(CInCH)	109.4250	0.000	1	109.4250	0.000	1	107.9080	1.043	4	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	In-3:C-4:H-1:H-1:	C-4:	C-4:	C(InGa[6]2)(CH3)(H)2	H(CInCH)	H(CInCH)	C(InGa[6]2)(CH3)(H)2	H(CInCH)	H(CInCH)	107.3990	0.000	1	107.3990	0.000	1	107.9080	1.043	4	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NAlC)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NAlC)(CC3)(H)2	H(CCHN)	H(CCHN)	107.7870	0.228	18	107.7870	0.052	18	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NAlC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NAlC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.9330	0.181	4	107.9330	0.033	4	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NAlSi)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NAlSi)(CHHN)(H)2	H(CCHN)	H(CCHN)	104.9210	0.245	2	104.9210	0.060	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NB[3x3,3x5,12x6]C)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NB[3x3,3x5,12x6]C)(CH3)(H)2	H(CCHN)	H(CCHN)	108.0770	0.095	2	108.0770	0.009	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NB[5]2)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NB[5]2)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.8035	0.062	2	107.8035	0.004	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NB[5]C)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NB[5]C)(CH3)(H)2	H(CCHN)	H(CCHN)	107.8800	0.127	3	107.8800	0.016	3	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NB[5a]C[6a])(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NB[5a]C[6a])(CHHN)(H)2	H(CCHN)	H(CCHN)	107.8420	0.423	2	107.8420	0.179	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NB[5a]H)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NB[5a]H)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.9435	0.074	2	107.9435	0.006	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NB[6]C)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NB[6]C)(CH3)(H)2	H(CCHN)	H(CCHN)	107.6270	0.193	10	107.6270	0.037	10	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[3,3]C)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[3,3]C)(CH3)(H)2	H(CCHN)	H(CCHN)	107.8545	0.160	4	107.8545	0.025	4	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[3,6]C)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[3,6]C)(CH3)(H)2	H(CCHN)	H(CCHN)	106.1490	2.077	2	106.1490	4.316	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[3,6]C)(CHOO)(H)2	H(CCHN)	H(CCHN)	C(NC[3,6]C)(CHOO)(H)2	H(CCHN)	H(CCHN)	109.3140	0.000	1	109.3140	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[3]C)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[3]C)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.7868	0.068	6	107.7868	0.005	6	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[3]C)(CCHN)(H)2	H(CCHN)	H(CCHN)	C(NC[3]C)(CCHN)(H)2	H(CCHN)	H(CCHN)	108.0880	0.000	1	108.0880	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[3]C)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[3]C)(CH3)(H)2	H(CCHN)	H(CCHN)	107.7560	0.066	8	107.7560	0.004	8	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[3]C[5])(CC3)(H)2	H(CCHN)	H(CCHN)	C(NC[3]C[5])(CC3)(H)2	H(CCHN)	H(CCHN)	107.4750	0.083	2	107.4750	0.007	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[3]H)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[3]H)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.9360	0.000	1	107.9360	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[3]S)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[3]S)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.5175	1.097	2	107.5175	1.203	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[3x6]C)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[3x6]C)(CHHN)(H)2	H(CCHN)	H(CCHN)	106.7068	1.150	6	106.7068	1.323	6	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[4]C)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[4]C)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.8920	0.102	4	107.8920	0.010	4	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[4]C)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[4]C)(CH3)(H)2	H(CCHN)	H(CCHN)	108.1804	0.734	57	108.1804	0.539	57	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[4]H)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[4]H)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.7757	0.106	3	107.7757	0.011	3	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[4a]C)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[4a]C)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.8190	0.000	1	107.8190	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[4a]H)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[4a]H)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.7460	0.196	3	107.7460	0.038	3	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[4a]H)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[4a]H)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.8168	0.226	5	107.8168	0.051	5	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]2)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[5]2)(CH3)(H)2	H(CCHN)	H(CCHN)	107.8830	0.000	1	107.8830	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]B)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NC[5]B)(CC3)(H)2	H(CCHN)	H(CCHN)	106.9090	0.000	1	106.9090	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]C)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NC[5]C)(CC3)(H)2	H(CCHN)	H(CCHN)	107.3623	0.184	15	107.3623	0.034	15	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]C)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[5]C)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.4340	0.322	2	107.4340	0.104	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]C)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[5]C)(CH3)(H)2	H(CCHN)	H(CCHN)	107.9308	0.097	18	107.9308	0.009	18	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]C)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NC[5]C)(CHHS)(H)2	H(CCHN)	H(CCHN)	107.4660	0.000	1	107.4660	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]Co)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[5]Co)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.8960	2.099	7	108.8960	4.405	7	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]Co)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NC[5]Co)(CHHP)(H)2	H(CCHN)	H(CCHN)	108.2650	0.154	2	108.2650	0.024	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]Cr)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[5]Cr)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.3740	0.000	1	108.3740	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]Cu)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[5]Cu)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.4543	0.136	7	108.4543	0.018	7	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]Fe)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[5]Fe)(CHHN)(H)2	H(CCHN)	H(CCHN)	109.8625	1.756	4	109.8625	3.085	4	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]Fe)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NC[5]Fe)(CHHP)(H)2	H(CCHN)	H(CCHN)	108.0460	0.198	3	108.0460	0.039	3	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]Fe)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NC[5]Fe)(CHHS)(H)2	H(CCHN)	H(CCHN)	107.8935	0.006	2	107.8935	0.000	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]H)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NC[5]H)(CC3)(H)2	H(CCHN)	H(CCHN)	107.8480	0.000	1	107.8480	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]H)(CCCH)(H)2	H(CCHN)	H(CCHN)	C(NC[5]H)(CCCH)(H)2	H(CCHN)	H(CCHN)	108.0645	0.056	2	108.0645	0.003	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]H)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[5]H)(CCHH)(H)2	H(CCHN)	H(CCHN)	108.1835	0.834	10	108.1835	0.695	10	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]H)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[5]H)(CH3)(H)2	H(CCHN)	H(CCHN)	108.0667	0.146	3	108.0667	0.021	3	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]H)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[5]H)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.9828	0.277	6	107.9828	0.077	6	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]H)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NC[5]H)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.9345	0.216	6	107.9345	0.047	6	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]H)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NC[5]H)(CHHS)(H)2	H(CCHN)	H(CCHN)	107.8975	0.194	2	107.8975	0.038	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]Mn)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[5]Mn)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.7415	0.571	4	107.7415	0.326	4	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]Mo)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[5]Mo)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.3831	0.214	8	108.3831	0.046	8	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]Ni)(CCHN)(H)2	H(CCHN)	H(CCHN)	C(NC[5]Ni)(CCHN)(H)2	H(CCHN)	H(CCHN)	109.5640	0.000	1	109.5640	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]Ni)(CCHO)(H)2	H(CCHN)	H(CCHN)	C(NC[5]Ni)(CCHO)(H)2	H(CCHN)	H(CCHN)	108.6595	0.146	2	108.6595	0.021	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]Ni)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[5]Ni)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.4275	0.128	2	108.4275	0.016	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]O)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[5]O)(CCHH)(H)2	H(CCHN)	H(CCHN)	108.5705	1.281	2	108.5705	1.640	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]P)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NC[5]P)(CC3)(H)2	H(CCHN)	H(CCHN)	107.3887	0.096	3	107.3887	0.009	3	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]Pd)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[5]Pd)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.9103	0.466	3	108.9103	0.217	3	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]Pt)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[5]Pt)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.7140	0.000	1	108.7140	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]Ru)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[5]Ru)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.6625	0.097	4	108.6625	0.009	4	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]S)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[5]S)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.8440	0.000	1	107.8440	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]Zn)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[5]Zn)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0692	0.236	4	108.0692	0.056	4	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5a]C)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[5a]C)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.9787	0.571	15	107.9787	0.326	15	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5a]C)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[5a]C)(CH3)(H)2	H(CCHN)	H(CCHN)	107.9055	5.833	15	107.9055	34.027	15	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5a]C)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[5a]C)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.7780	0.000	1	107.7780	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5a]C)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NC[5a]C)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.7655	0.023	2	107.7655	0.001	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5a]C[6a])(CCHO)(H)2	H(CCHN)	H(CCHN)	C(NC[5a]C[6a])(CCHO)(H)2	H(CCHN)	H(CCHN)	107.4380	0.000	1	107.4380	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5a]C[6a])(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[5a]C[6a])(CH3)(H)2	H(CCHN)	H(CCHN)	107.7280	0.000	1	107.7280	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5a]H)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[5a]H)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.3879	1.956	10	107.3879	3.828	10	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5a]H)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[5a]H)(CH3)(H)2	H(CCHN)	H(CCHN)	108.4800	0.696	7	108.4800	0.484	7	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5a]H)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[5a]H)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.7850	0.058	2	107.7850	0.003	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5a]H)(CHNO)(H)2	H(CCHN)	H(CCHN)	C(NC[5a]H)(CHNO)(H)2	H(CCHN)	H(CCHN)	107.8070	0.000	1	107.8070	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5a]H)(CN3)(H)2	H(CCHN)	H(CCHN)	C(NC[5a]H)(CN3)(H)2	H(CCHN)	H(CCHN)	107.8940	0.096	9	107.8940	0.009	9	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5a]N)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[5a]N)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.1110	0.000	1	108.1110	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5a]N)(CN3)(H)2	H(CCHN)	H(CCHN)	C(NC[5a]N)(CN3)(H)2	H(CCHN)	H(CCHN)	107.9200	0.000	1	107.9200	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5a]S)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NC[5a]S)(CC3)(H)2	H(CCHN)	H(CCHN)	107.5590	0.035	2	107.5590	0.001	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5a]S)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[5a]S)(CCHH)(H)2	H(CCHN)	H(CCHN)	108.7526	2.363	5	108.7526	5.586	5	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6,6]C)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6,6]C)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.7630	0.000	1	107.7630	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6,6]H)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NC[6,6]H)(CHHO)(H)2	H(CCHN)	H(CCHN)	108.1590	0.000	1	108.1590	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]2)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6]2)(CCHH)(H)2	H(CCHN)	H(CCHN)	108.1280	0.000	1	108.1280	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]Al)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6]Al)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.5083	0.075	3	108.5083	0.006	3	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]C)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6]C)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.8358	0.457	16	107.8358	0.209	16	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]C)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[6]C)(CH3)(H)2	H(CCHN)	H(CCHN)	107.8418	0.686	46	107.8418	0.470	46	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]C)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6]C)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.9407	0.132	3	107.9407	0.018	3	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]C)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NC[6]C)(CHHO)(H)2	H(CCHN)	H(CCHN)	109.0115	4.649	4	109.0115	21.615	4	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]C)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NC[6]C)(CHHP)(H)2	H(CCHN)	H(CCHN)	107.6220	0.125	3	107.6220	0.016	3	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]Co)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6]Co)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.4142	0.081	18	108.4142	0.007	18	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]Cr)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NC[6]Cr)(CC3)(H)2	H(CCHN)	H(CCHN)	107.6520	0.127	2	107.6520	0.016	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]Cu)(CCCS)(H)2	H(CCHN)	H(CCHN)	C(NC[6]Cu)(CCCS)(H)2	H(CCHN)	H(CCHN)	112.4130	0.000	1	112.4130	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]Cu)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6]Cu)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.2600	0.094	3	108.2600	0.009	3	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]Fe)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6]Fe)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.3653	0.070	6	108.3653	0.005	6	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]H)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NC[6]H)(CC3)(H)2	H(CCHN)	H(CCHN)	107.4230	0.684	15	107.4230	0.468	15	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]H)(CCCH)(H)2	H(CCHN)	H(CCHN)	C(NC[6]H)(CCCH)(H)2	H(CCHN)	H(CCHN)	107.9000	0.000	1	107.9000	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]H)(CCCS)(H)2	H(CCHN)	H(CCHN)	C(NC[6]H)(CCCS)(H)2	H(CCHN)	H(CCHN)	109.6225	4.636	4	109.6225	21.496	4	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]H)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6]H)(CCHH)(H)2	H(CCHN)	H(CCHN)	108.0436	1.071	35	108.0436	1.147	35	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]H)(CCHO)(H)2	H(CCHN)	H(CCHN)	C(NC[6]H)(CCHO)(H)2	H(CCHN)	H(CCHN)	108.0060	0.000	1	108.0060	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]H)(CClHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6]H)(CClHH)(H)2	H(CCHN)	H(CCHN)	107.7690	0.000	1	107.7690	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]H)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[6]H)(CH3)(H)2	H(CCHN)	H(CCHN)	108.0817	0.605	8	108.0817	0.366	8	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]H)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6]H)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0756	0.352	22	108.0756	0.124	22	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]H)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NC[6]H)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.8280	0.024	2	107.8280	0.001	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]H)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NC[6]H)(CHHP)(H)2	H(CCHN)	H(CCHN)	108.4400	0.000	1	108.4400	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]H)(CHPP)(H)2	H(CCHN)	H(CCHN)	C(NC[6]H)(CHPP)(H)2	H(CCHN)	H(CCHN)	107.9130	0.000	1	107.9130	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]Hf)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6]Hf)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.7780	0.000	1	107.7780	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]Ni)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6]Ni)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.4920	0.064	2	108.4920	0.004	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]O)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6]O)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.8440	0.000	1	107.8440	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]Pd)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NC[6]Pd)(CC3)(H)2	H(CCHN)	H(CCHN)	107.5110	0.118	3	107.5110	0.014	3	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]Ru)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NC[6]Ru)(CHHP)(H)2	H(CCHN)	H(CCHN)	108.1180	0.000	1	108.1180	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]S)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6]S)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.7160	0.000	1	107.7160	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]S)(CCHO)(H)2	H(CCHN)	H(CCHN)	C(NC[6]S)(CCHO)(H)2	H(CCHN)	H(CCHN)	107.5230	0.000	1	107.5230	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]S)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[6]S)(CH3)(H)2	H(CCHN)	H(CCHN)	107.6100	0.112	3	107.6100	0.013	3	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]S)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6]S)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.6655	0.241	2	107.6655	0.058	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]S)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NC[6]S)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.6417	0.204	3	107.6417	0.042	3	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]Zn)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[6]Zn)(CH3)(H)2	H(CCHN)	H(CCHN)	108.0780	0.000	1	108.0780	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]2)(CCCF)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]2)(CCCF)(H)2	H(CCHN)	H(CCHN)	107.5325	0.033	2	107.5325	0.001	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]2)(CCCH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]2)(CCCH)(H)2	H(CCHN)	H(CCHN)	108.0710	0.072	4	108.0710	0.005	4	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]2)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]2)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.7663	0.391	19	107.7663	0.153	19	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]2)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]2)(CH3)(H)2	H(CCHN)	H(CCHN)	107.5297	0.798	10	107.5297	0.636	10	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]2)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]2)(CHHP)(H)2	H(CCHN)	H(CCHN)	108.0000	0.000	1	108.0000	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Al)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Al)(CC3)(H)2	H(CCHN)	H(CCHN)	107.4360	0.000	1	107.4360	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Al)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Al)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0919	1.072	10	108.0919	1.149	10	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Al)(CN[6]HH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Al)(CN[6]HH)(H)2	H(CCHN)	H(CCHN)	108.4475	0.111	2	108.4475	0.012	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(CBrCH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]C)(CBrCH)(H)2	H(CCHN)	H(CCHN)	107.3800	0.000	1	107.3800	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(CBrHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]C)(CBrHH)(H)2	H(CCHN)	H(CCHN)	108.0683	0.362	3	108.0683	0.131	3	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(CCCH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]C)(CCCH)(H)2	H(CCHN)	H(CCHN)	107.5652	0.130	5	107.5652	0.017	5	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(CCCN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]C)(CCCN)(H)2	H(CCHN)	H(CCHN)	109.8405	1.944	2	109.8405	3.779	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(CCCO)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]C)(CCCO)(H)2	H(CCHN)	H(CCHN)	108.1470	0.066	6	108.1470	0.004	6	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]C)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.9172	0.899	194	107.9172	0.808	194	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(CCHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]C)(CCHN)(H)2	H(CCHN)	H(CCHN)	108.3838	0.901	5	108.3838	0.812	5	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(CCHO)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]C)(CCHO)(H)2	H(CCHN)	H(CCHN)	107.7030	0.007	2	107.7030	0.000	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(CClHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]C)(CClHH)(H)2	H(CCHN)	H(CCHN)	107.7563	1.223	12	107.7563	1.496	12	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(CCoCC)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]C)(CCoCC)(H)2	H(CCHN)	H(CCHN)	108.1210	0.000	1	108.1210	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]C)(CH3)(H)2	H(CCHN)	H(CCHN)	107.7455	1.018	990	107.7455	1.036	990	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]C)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.1986	0.993	47	108.1986	0.986	47	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]C)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.7503	0.718	72	107.7503	0.515	72	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]C)(CHHP)(H)2	H(CCHN)	H(CCHN)	107.6710	0.141	3	107.6710	0.020	3	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]C)(CHHS)(H)2	H(CCHN)	H(CCHN)	107.9029	0.376	14	107.9029	0.141	14	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(CPdCH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]C)(CPdCH)(H)2	H(CCHN)	H(CCHN)	107.6460	0.000	1	107.6460	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]C[6])(CC[6a]HO)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]C[6])(CC[6a]HO)(H)2	H(CCHN)	H(CCHN)	107.8940	0.000	1	107.8940	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Co)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Co)(CHHP)(H)2	H(CCHN)	H(CCHN)	107.8010	0.000	1	107.8010	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Cu)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Cu)(CCHH)(H)2	H(CCHN)	H(CCHN)	108.0135	0.750	2	108.0135	0.563	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Fe)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Fe)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.2460	0.000	1	108.2460	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Fe)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Fe)(CHHP)(H)2	H(CCHN)	H(CCHN)	108.1200	0.000	1	108.1200	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]H)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]H)(CC3)(H)2	H(CCHN)	H(CCHN)	107.4586	4.119	9	107.4586	16.970	9	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]H)(CCCH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]H)(CCCH)(H)2	H(CCHN)	H(CCHN)	108.1003	0.730	6	108.1003	0.534	6	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]H)(CCFH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]H)(CCFH)(H)2	H(CCHN)	H(CCHN)	107.8150	0.000	1	107.8150	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]H)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]H)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.9227	0.684	136	107.9227	0.467	136	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]H)(CCHO)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]H)(CCHO)(H)2	H(CCHN)	H(CCHN)	108.5420	1.812	2	108.5420	3.282	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]H)(CClHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]H)(CClHH)(H)2	H(CCHN)	H(CCHN)	108.1972	0.932	4	108.1972	0.869	4	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]H)(CF3)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]H)(CF3)(H)2	H(CCHN)	H(CCHN)	107.8835	0.220	4	107.8835	0.048	4	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]H)(CFFH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]H)(CFFH)(H)2	H(CCHN)	H(CCHN)	107.5913	0.041	3	107.5913	0.002	3	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]H)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]H)(CH3)(H)2	H(CCHN)	H(CCHN)	107.9448	0.728	73	107.9448	0.530	73	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0179	0.823	54	108.0179	0.677	54	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]H)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]H)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.9323	0.297	49	107.9323	0.088	49	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]H)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]H)(CHHP)(H)2	H(CCHN)	H(CCHN)	107.8520	0.000	1	107.8520	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]H)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]H)(CHHS)(H)2	H(CCHN)	H(CCHN)	107.9013	0.228	3	107.9013	0.052	3	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Ir)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Ir)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.5350	0.037	2	108.5350	0.001	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Mg)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Mg)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.6270	0.031	2	107.6270	0.001	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Mg)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Mg)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.9085	0.030	2	107.9085	0.001	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Mn)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Mn)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.8845	0.036	2	107.8845	0.001	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Mo)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Mo)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.5103	0.112	6	108.5103	0.013	6	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]N)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]N)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.9620	0.000	1	107.9620	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]N)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]N)(CH3)(H)2	H(CCHN)	H(CCHN)	107.8533	0.086	10	107.8533	0.007	10	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]N)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]N)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.5640	0.000	1	107.5640	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]N)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]N)(CHHS)(H)2	H(CCHN)	H(CCHN)	107.5710	0.000	1	107.5710	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Nb)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Nb)(CC3)(H)2	H(CCHN)	H(CCHN)	107.4293	0.150	6	107.4293	0.022	6	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Ni)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Ni)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.6935	0.251	6	108.6935	0.063	6	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]P)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]P)(CH3)(H)2	H(CCHN)	H(CCHN)	107.4950	0.093	2	107.4950	0.009	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]P)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]P)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0395	0.097	2	108.0395	0.009	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Pb)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Pb)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.7675	0.066	2	107.7675	0.004	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Pb)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Pb)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.1750	0.000	1	108.1750	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Pd)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Pd)(CC3)(H)2	H(CCHN)	H(CCHN)	107.5783	0.244	3	107.5783	0.059	3	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Pd)(CC[6]HH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Pd)(CC[6]HH)(H)2	H(CCHN)	H(CCHN)	108.1480	0.000	1	108.1480	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Pt)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Pt)(CCHH)(H)2	H(CCHN)	H(CCHN)	108.2270	0.000	1	108.2270	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Re)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Re)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.8510	0.269	2	107.8510	0.072	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Re)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Re)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.5730	0.136	2	108.5730	0.018	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]S)(CBrCH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]S)(CBrCH)(H)2	H(CCHN)	H(CCHN)	107.9250	0.000	1	107.9250	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]S)(CCCH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]S)(CCCH)(H)2	H(CCHN)	H(CCHN)	107.9868	0.326	5	107.9868	0.106	5	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]S)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]S)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.8569	1.394	22	107.8569	1.943	22	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]S)(CCHI)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]S)(CCHI)(H)2	H(CCHN)	H(CCHN)	107.8570	0.000	1	107.8570	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]S)(CCHO)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]S)(CCHO)(H)2	H(CCHN)	H(CCHN)	107.8520	0.201	2	107.8520	0.040	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]S)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]S)(CH3)(H)2	H(CCHN)	H(CCHN)	107.8683	0.146	7	107.8683	0.021	7	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]S)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]S)(CHHO)(H)2	H(CCHN)	H(CCHN)	110.0705	3.051	2	110.0705	9.310	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Sn)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Sn)(CC3)(H)2	H(CCHN)	H(CCHN)	107.3925	0.016	2	107.3925	0.000	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Sn)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Sn)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.6739	0.144	15	107.6739	0.021	15	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Sn)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Sn)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0432	0.338	27	108.0432	0.114	27	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Sn)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Sn)(CHHO)(H)2	H(CCHN)	H(CCHN)	108.1900	0.358	2	108.1900	0.128	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Zn)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Zn)(CC3)(H)2	H(CCHN)	H(CCHN)	107.3180	0.000	1	107.3180	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Zn)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Zn)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.6287	0.070	3	107.6287	0.005	3	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Zn)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Zn)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.1791	0.247	8	108.1791	0.061	8	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Zn)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Zn)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.8590	0.000	1	107.8590	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NCdC)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NCdC)(CC3)(H)2	H(CCHN)	H(CCHN)	107.6068	0.106	4	107.6068	0.011	4	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NCoC)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NCoC)(CC3)(H)2	H(CCHN)	H(CCHN)	107.9524	0.300	7	107.9524	0.090	7	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NCoC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NCoC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.7439	0.344	14	107.7439	0.119	14	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NCoSi)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NCoSi)(CHHP)(H)2	H(CCHN)	H(CCHN)	107.9720	0.000	1	107.9720	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NCrSi)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NCrSi)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.2893	0.025	3	108.2893	0.001	3	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NCuC)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NCuC)(CC3)(H)2	H(CCHN)	H(CCHN)	107.6410	1.746	28	107.6410	3.049	28	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NCuC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NCuC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.9503	0.125	12	107.9503	0.016	12	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NFeC)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NFeC)(CC3)(H)2	H(CCHN)	H(CCHN)	107.8635	0.594	26	107.8635	0.353	26	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NFeC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NFeC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.9400	0.000	1	107.9400	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NGa[6]H)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NGa[6]H)(CH3)(H)2	H(CCHN)	H(CCHN)	108.1280	0.000	1	108.1280	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NGdC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NGdC)(CH3)(H)2	H(CCHN)	H(CCHN)	108.0315	0.097	2	108.0315	0.009	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NGeC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NGeC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.6400	0.147	2	107.6400	0.022	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NGeSi)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NGeSi)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.9600	0.030	2	107.9600	0.001	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NGe[6]C)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NGe[6]C)(CH3)(H)2	H(CCHN)	H(CCHN)	107.6750	0.000	1	107.6750	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NHfC)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NHfC)(CC3)(H)2	H(CCHN)	H(CCHN)	107.6640	0.000	1	107.6640	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NIrC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NIrC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.7830	0.000	1	107.7830	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NMgC)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NMgC)(CC3)(H)2	H(CCHN)	H(CCHN)	107.7130	0.000	1	107.7130	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NMgSi)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NMgSi)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.4337	0.089	3	107.4337	0.008	3	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NMnC)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NMnC)(CC3)(H)2	H(CCHN)	H(CCHN)	107.8331	0.181	21	107.8331	0.033	21	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NMnC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NMnC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.8130	0.052	2	107.8130	0.003	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NMoC)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NMoC)(CC3)(H)2	H(CCHN)	H(CCHN)	107.6855	0.259	10	107.6855	0.067	10	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NMoC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NMoC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.8415	0.138	6	107.8415	0.019	6	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NMoO)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NMoO)(CC3)(H)2	H(CCHN)	H(CCHN)	107.7690	0.000	1	107.7690	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NMoSi)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NMoSi)(CH3)(H)2	H(CCHN)	H(CCHN)	107.5130	0.000	1	107.5130	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NN[3]C)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NN[3]C)(CH3)(H)2	H(CCHN)	H(CCHN)	107.8440	0.000	1	107.8440	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NN[5]H)(CF3)(H)2	H(CCHN)	H(CCHN)	C(NN[5]H)(CF3)(H)2	H(CCHN)	H(CCHN)	108.3550	0.000	1	108.3550	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NN[5]H)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NN[5]H)(CHHO)(H)2	H(CCHN)	H(CCHN)	108.3130	0.000	1	108.3130	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NN[5a]C)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NN[5a]C)(CH3)(H)2	H(CCHN)	H(CCHN)	106.9447	2.661	8	106.9447	7.080	8	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NN[5a]H)(CFNN)(H)2	H(CCHN)	H(CCHN)	C(NN[5a]H)(CFNN)(H)2	H(CCHN)	H(CCHN)	108.4300	0.000	1	108.4300	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NN[5a]H)(CN3)(H)2	H(CCHN)	H(CCHN)	C(NN[5a]H)(CN3)(H)2	H(CCHN)	H(CCHN)	107.8826	0.794	7	107.8826	0.631	7	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NNb[3x3]C[6a])(CC3)(H)2	H(CCHN)	H(CCHN)	C(NNb[3x3]C[6a])(CC3)(H)2	H(CCHN)	H(CCHN)	107.1860	0.162	3	107.1860	0.026	3	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NNiC)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NNiC)(CC3)(H)2	H(CCHN)	H(CCHN)	107.8840	0.814	28	107.8840	0.663	28	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NNiC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NNiC)(CH3)(H)2	H(CCHN)	H(CCHN)	108.1438	0.507	10	108.1438	0.257	10	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NP[5]C)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NP[5]C)(CCHH)(H)2	H(CCHN)	H(CCHN)	106.8484	4.859	6	106.8484	23.608	6	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NP[5]C)(CClHH)(H)2	H(CCHN)	H(CCHN)	C(NP[5]C)(CClHH)(H)2	H(CCHN)	H(CCHN)	107.9200	0.399	2	107.9200	0.159	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NP[5]C)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NP[5]C)(CH3)(H)2	H(CCHN)	H(CCHN)	108.8387	1.029	3	108.8387	1.058	3	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NP[6]C)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NP[6]C)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.8407	0.051	3	107.8407	0.003	3	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NP[6]C)(CClHH)(H)2	H(CCHN)	H(CCHN)	C(NP[6]C)(CClHH)(H)2	H(CCHN)	H(CCHN)	108.0740	0.038	2	108.0740	0.001	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NP[6]C)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NP[6]C)(CH3)(H)2	H(CCHN)	H(CCHN)	107.7072	0.146	11	107.7072	0.021	11	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NP[6]H)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NP[6]H)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.9470	0.000	1	107.9470	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NP[6]H)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NP[6]H)(CH3)(H)2	H(CCHN)	H(CCHN)	108.0940	0.000	1	108.0940	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NP[6]H)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NP[6]H)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.9300	0.132	2	107.9300	0.017	2	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NP[6]H)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NP[6]H)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.5610	0.000	1	107.5610	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NPdC)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NPdC)(CC3)(H)2	H(CCHN)	H(CCHN)	107.5893	0.144	3	107.5893	0.021	3	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NPdC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NPdC)(CH3)(H)2	H(CCHN)	H(CCHN)	110.7513	2.413	3	110.7513	5.823	3	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NPtC)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NPtC)(CC3)(H)2	H(CCHN)	H(CCHN)	107.5050	0.000	1	107.5050	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NReC)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NReC)(CC3)(H)2	H(CCHN)	H(CCHN)	107.5592	0.393	4	107.5592	0.154	4	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NReC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NReC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.1070	0.000	1	107.1070	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NRuC)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NRuC)(CC3)(H)2	H(CCHN)	H(CCHN)	107.4160	0.000	1	107.4160	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NSbSi)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NSbSi)(CHHN)(H)2	H(CCHN)	H(CCHN)	105.1700	0.000	1	105.1700	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NSiC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NSiC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.6154	0.100	14	107.6154	0.010	14	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NSiSn)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NSiSn)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.1300	0.036	4	108.1300	0.001	4	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NSi[5,5]C)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NSi[5,5]C)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.5110	0.000	1	107.5110	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NSi[5]C)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NSi[5]C)(CH3)(H)2	H(CCHN)	H(CCHN)	107.5538	0.180	5	107.5538	0.032	5	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NSi[5]C)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NSi[5]C)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.6520	0.000	1	107.6520	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NSnC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NSnC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.1000	0.000	1	107.1000	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NZnC)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NZnC)(CC3)(H)2	H(CCHN)	H(CCHN)	107.6580	0.193	19	107.6580	0.037	19	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NZrC)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NZrC)(CC3)(H)2	H(CCHN)	H(CCHN)	107.7292	0.171	5	107.7292	0.029	5	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:C-4:H-1:H-1:	C-4:	C-4:	C(NZrC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NZrC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.6470	0.000	1	107.6470	0.000	1	107.8605	1.099	2791	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:Ge-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(GeCCI)(H)2	H(CGeHN)	H(CGeHN)	C(NC[6a]C)(GeCCI)(H)2	H(CGeHN)	H(CGeHN)	107.2690	0.000	1	107.2690	0.000	1	107.2690	0.000	1	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:P-4:H-1:H-1:	C-4:	C-4:	C(NC[6]C)(PCOO)(H)2	H(CHNP)	H(CHNP)	C(NC[6]C)(PCOO)(H)2	H(CHNP)	H(CHNP)	107.9630	0.000	1	107.9630	0.000	1	107.8859	0.471	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:P-4:H-1:H-1:	C-4:	C-4:	C(NC[6]C)(PPdCC)(H)2	H(CHNP)	H(CHNP)	C(NC[6]C)(PPdCC)(H)2	H(CHNP)	H(CHNP)	107.8490	0.000	1	107.8490	0.000	1	107.8859	0.471	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:P-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]2)(PMoCC)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]2)(PMoCC)(H)2	H(CHNP)	H(CHNP)	107.0875	0.015	2	107.0875	0.000	2	107.8859	0.471	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:P-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Al)(PAlCC)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]Al)(PAlCC)(H)2	H(CHNP)	H(CHNP)	108.6400	1.185	2	108.6400	1.404	2	107.8859	0.471	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:P-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Al)(PCoCC)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]Al)(PCoCC)(H)2	H(CHNP)	H(CHNP)	108.2646	0.273	9	108.2646	0.074	9	107.8859	0.471	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:P-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Al)(PFeCC)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]Al)(PFeCC)(H)2	H(CHNP)	H(CHNP)	108.8250	0.000	1	108.8250	0.000	1	107.8859	0.471	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:P-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Al)(PRhCC)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]Al)(PRhCC)(H)2	H(CHNP)	H(CHNP)	108.6355	0.490	2	108.6355	0.240	2	107.8859	0.471	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:P-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(PCoCC)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]C)(PCoCC)(H)2	H(CHNP)	H(CHNP)	107.8004	0.208	34	107.8004	0.043	34	107.8859	0.471	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:P-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(PFeCC)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]C)(PFeCC)(H)2	H(CHNP)	H(CHNP)	107.5759	0.395	11	107.5759	0.156	11	107.8859	0.471	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:P-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(PMoCC)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]C)(PMoCC)(H)2	H(CHNP)	H(CHNP)	106.9522	1.961	4	106.9522	3.844	4	107.8859	0.471	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:P-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(PNiCC)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]C)(PNiCC)(H)2	H(CHNP)	H(CHNP)	107.6739	0.258	7	107.6739	0.067	7	107.8859	0.471	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:P-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(PPdCC)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]C)(PPdCC)(H)2	H(CHNP)	H(CHNP)	107.7100	0.018	2	107.7100	0.000	2	107.8859	0.471	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:P-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(PRuCC)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]C)(PRuCC)(H)2	H(CHNP)	H(CHNP)	107.7998	0.147	4	107.7998	0.022	4	107.8859	0.471	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:P-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]C[6])(PC[6a]2Hg)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]C[6])(PC[6a]2Hg)(H)2	H(CHNP)	H(CHNP)	107.6360	0.000	1	107.6360	0.000	1	107.8859	0.471	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:P-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Co)(PCoCC)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]Co)(PCoCC)(H)2	H(CHNP)	H(CHNP)	108.4400	0.380	9	108.4400	0.145	9	107.8859	0.471	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:P-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Cr)(PCrCC)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]Cr)(PCrCC)(H)2	H(CHNP)	H(CHNP)	108.0830	0.124	2	108.0830	0.015	2	107.8859	0.471	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:P-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Fe)(PCoCC)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]Fe)(PCoCC)(H)2	H(CHNP)	H(CHNP)	108.6053	0.070	3	108.6053	0.005	3	107.8859	0.471	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:P-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Fe)(PFeCC)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]Fe)(PFeCC)(H)2	H(CHNP)	H(CHNP)	108.4299	0.180	7	108.4299	0.032	7	107.8859	0.471	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:P-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Ga)(PNiCC)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]Ga)(PNiCC)(H)2	H(CHNP)	H(CHNP)	108.0442	0.234	5	108.0442	0.055	5	107.8859	0.471	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:P-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]H)(PMoCC)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]H)(PMoCC)(H)2	H(CHNP)	H(CHNP)	107.7485	0.500	4	107.7485	0.250	4	107.8859	0.471	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:P-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]H)(PSeCC)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]H)(PSeCC)(H)2	H(CHNP)	H(CHNP)	107.5357	0.276	3	107.5357	0.076	3	107.8859	0.471	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:P-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]In)(PCoCC)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]In)(PCoCC)(H)2	H(CHNP)	H(CHNP)	107.9320	0.000	1	107.9320	0.000	1	107.8859	0.471	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N-3:P-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]In)(PNiCC)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]In)(PNiCC)(H)2	H(CHNP)	H(CHNP)	107.5315	1.405	11	107.5315	1.974	11	107.8859	0.471	126	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[3]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[3]C[3,4]2)(CH3)(H)2	H(CN[3]CH)	H(CN[3]CH)	C(N[3]C[3,4]2)(CH3)(H)2	H(CN[3]CH)	H(CN[3]CH)	112.3840	0.000	1	112.3840	0.000	1	112.3840	0.000	1	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[4]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[4]C[4,5]C[4])(CCHH)(H)2	H(CN[4]CH)	H(CN[4]CH)	C(N[4]C[4,5]C[4])(CCHH)(H)2	H(CN[4]CH)	H(CN[4]CH)	108.0435	0.811	2	108.0435	0.658	2	107.7487	0.072	30	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[4]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[4]C[4,6]C[4])(CCHH)(H)2	H(CN[4]CH)	H(CN[4]CH)	C(N[4]C[4,6]C[4])(CCHH)(H)2	H(CN[4]CH)	H(CN[4]CH)	107.9940	0.000	1	107.9940	0.000	1	107.7487	0.072	30	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[4]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[4]C[4]2)(CCHH)(H)2	H(CN[4]CH)	H(CN[4]CH)	C(N[4]C[4]2)(CCHH)(H)2	H(CN[4]CH)	H(CN[4]CH)	107.7121	0.177	15	107.7121	0.031	15	107.7487	0.072	30	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[4]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[4]C[4]2)(CCHI)(H)2	H(CN[4]CH)	H(CN[4]CH)	C(N[4]C[4]2)(CCHI)(H)2	H(CN[4]CH)	H(CN[4]CH)	108.2980	0.000	1	108.2980	0.000	1	107.7487	0.072	30	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[4]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[4]C[4]2)(CN[4]HH)(H)2	H(CN[4]CH)	H(CN[4]CH)	C(N[4]C[4]2)(CN[4]HH)(H)2	H(CN[4]CH)	H(CN[4]CH)	107.6607	0.190	6	107.6607	0.036	6	107.7487	0.072	30	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[4]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[4]Ga[4]2)(CC3)(H)2	H(CN[4]CH)	H(CN[4]CH)	C(N[4]Ga[4]2)(CC3)(H)2	H(CN[4]CH)	H(CN[4]CH)	107.3610	0.000	1	107.3610	0.000	1	107.7487	0.072	30	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[4]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[4]Nb[4]C[4])(CH3)(H)2	H(CN[4]CH)	H(CN[4]CH)	C(N[4]Nb[4]C[4])(CH3)(H)2	H(CN[4]CH)	H(CN[4]CH)	107.5960	0.000	1	107.5960	0.000	1	107.7487	0.072	30	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[4]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[4]P[4,6]2)(CCHH)(H)2	H(CN[4]CH)	H(CN[4]CH)	C(N[4]P[4,6]2)(CCHH)(H)2	H(CN[4]CH)	H(CN[4]CH)	107.8830	0.000	2	107.8830	0.000	2	107.7487	0.072	30	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[4]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[4]P[4]2)(CH3)(H)2	H(CN[4]CH)	H(CN[4]CH)	C(N[4]P[4]2)(CH3)(H)2	H(CN[4]CH)	H(CN[4]CH)	107.7130	0.000	1	107.7130	0.000	1	107.7487	0.072	30	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:B-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(BF3)(H)2	H(CN[5]BH)	H(CN[5]BH)	C(N[5]C[5]N[5])(BF3)(H)2	H(CN[5]BH)	H(CN[5]BH)	107.6335	0.012	2	107.6335	0.000	2	107.6335	0.000	2	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]B[5]C[5])(CC3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]B[5]C[5])(CC3)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.1450	0.000	1	107.1450	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]B[5]C[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]B[5]C[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.5520	0.000	1	107.5520	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[3,5]C[5])(CClHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[3,5]C[5])(CClHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	114.8190	0.000	1	114.8190	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[3x5]C[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[3x5]C[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.5780	0.000	1	107.5780	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5,6]C[5,6a])(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,5,6]C[5,6a])(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9158	0.102	4	107.9158	0.010	4	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5]C[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6357	0.292	13	107.6357	0.086	13	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5]C[5])(CCHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CCHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.4580	0.000	1	107.4580	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7960	0.160	6	107.7960	0.026	6	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5]C[5])(CF3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CF3)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.5310	0.253	2	107.5310	0.064	2	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5]C[5])(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.4947	0.989	27	107.4947	0.978	27	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5]C[5])(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.5680	0.000	1	107.5680	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5a]C[5])(CCCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,5a]C[5])(CCCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8140	0.000	1	107.8140	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5a]C[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,5a]C[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6690	0.075	5	107.6690	0.006	5	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5a]C[5])(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,5a]C[5])(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.1400	0.000	1	108.1400	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5a]C[5])(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,5a]C[5])(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.5805	0.025	2	107.5805	0.001	2	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6,6]C[5,6a])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6,6]C[5,6a])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7390	0.000	1	107.7390	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6,6]C[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6,6]C[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9627	0.046	4	107.9627	0.002	4	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6,6]C[5])(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6,6]C[5])(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6615	0.125	2	107.6615	0.016	2	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6,6]C[5])(CHHO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6,6]C[5])(CHHO)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9040	0.000	1	107.9040	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8073	0.286	44	107.8073	0.082	44	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]C[5])(CCHO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHO)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.4910	0.054	2	107.4910	0.003	2	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]C[5])(CC[3,5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CC[3,5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.5120	0.000	1	107.5120	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]C[5])(CC[5,5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CC[5,5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.1000	0.000	1	107.1000	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.2697	0.234	6	107.2697	0.055	6	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9423	0.489	6	107.9423	0.239	6	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]C[5])(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7775	0.290	11	107.7775	0.084	11	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]C[5])(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7014	0.182	16	107.7014	0.033	16	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]C[5])(CHHO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CHHO)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9790	0.246	2	107.9790	0.061	2	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]C[5])(CHOO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CHOO)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9040	0.000	1	107.9040	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8350	0.918	5	107.8350	0.842	5	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]C[5])(CSeHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CSeHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.1150	0.000	1	108.1150	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]N[5])(CHHP)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6]N[5])(CHHP)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9775	0.212	4	107.9775	0.045	4	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]P[5])(CC3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6]P[5])(CC3)(H)2	H(CN[5]CH)	H(CN[5]CH)	106.8180	0.000	1	106.8180	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]2)(CCCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]2)(CCCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7220	0.000	1	107.7220	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7240	0.072	2	107.7240	0.005	2	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,5])(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6850	0.000	1	107.6850	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6880	0.214	6	107.6880	0.046	6	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6827	1.248	8	107.6827	1.557	8	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,6])(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8504	0.154	5	107.8504	0.024	5	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(CHHO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,6])(CHHO)(H)2	H(CN[5]CH)	H(CN[5]CH)	109.4245	1.897	2	109.4245	3.599	2	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(CN[6]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,6])(CN[6]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0550	0.000	1	108.0550	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(CBrHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CBrHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7753	0.122	3	107.7753	0.015	3	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.4251	0.138	18	107.4251	0.019	18	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7220	0.136	6	107.7220	0.019	6	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8512	0.852	268	107.8512	0.726	268	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8550	0.000	1	107.8550	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9006	0.154	7	107.9006	0.024	7	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8591	0.789	169	107.8591	0.623	169	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7510	0.216	8	107.7510	0.047	8	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8794	0.160	39	107.8794	0.026	39	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHP)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9305	0.220	17	107.9305	0.048	17	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHS)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0394	0.232	16	108.0394	0.054	16	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHOO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHOO)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0250	0.010	2	108.0250	0.000	2	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(CIrCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CIrCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.4452	0.143	5	108.4452	0.020	5	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8479	0.446	22	107.8479	0.199	22	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.7604	2.087	7	108.7604	4.356	7	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(CPdCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CPdCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.1910	0.000	1	108.1910	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(CRuCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CRuCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.3610	0.000	1	108.3610	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(CSeHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CSeHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9770	0.387	4	107.9770	0.150	4	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]Ge[5])(CC3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]Ge[5])(CC3)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.3573	0.062	12	107.3573	0.004	12	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]Ge[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]Ge[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8090	0.000	1	107.8090	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]Ge[5])(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]Ge[5])(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7595	0.019	2	107.7595	0.000	2	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]N[5])(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]N[5])(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6585	0.105	2	107.6585	0.011	2	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]N[5])(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]N[5])(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7793	0.532	3	107.7793	0.283	3	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]N[5])(CHHP)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]N[5])(CHHP)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9575	0.091	2	107.9575	0.008	2	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]Se[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]Se[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	109.5340	0.964	2	109.5340	0.930	2	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]Se[5])(CN[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]Se[5])(CN[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.3072	0.072	4	108.3072	0.005	4	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]Si[3x5])(CC3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]Si[3x5])(CC3)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.3820	0.000	1	107.3820	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]Si[5])(CC3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.1361	0.114	16	107.1361	0.013	16	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CBrHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CBrHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9333	0.267	4	107.9333	0.071	4	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CC3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CC3)(H)2	H(CN[5]CH)	H(CN[5]CH)	114.1920	0.000	1	114.1920	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CCCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7710	0.385	34	107.7710	0.148	34	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CCCO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCO)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.3323	0.876	18	108.3323	0.768	18	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CCCS)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCS)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.1105	3.344	2	107.1105	11.182	2	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CCFH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CCFH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9635	0.223	2	107.9635	0.050	2	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8905	1.784	922	107.8905	3.182	922	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CCHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.1130	0.000	1	108.1130	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CCHO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHO)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8497	0.151	9	107.8497	0.023	9	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CCHS)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHS)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9318	0.122	10	107.9318	0.015	10	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6941	0.459	14	107.6941	0.211	14	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CC[5]Ru2)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[5]Ru2)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.4145	0.034	4	108.4145	0.001	4	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CC[5a]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[5a]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9714	0.143	9	107.9714	0.020	9	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CC[6]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0490	0.053	4	108.0490	0.003	4	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CC[6a]CH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]CH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.4005	0.623	2	108.4005	0.388	2	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CC[6a]CO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]CO)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0310	0.149	4	108.0310	0.022	4	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0464	0.799	38	108.0464	0.638	38	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HO)(H)2	H(CN[5]CH)	H(CN[5]CH)	109.3426	2.417	7	109.3426	5.844	7	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CClHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CClHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7680	0.000	1	107.7680	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CF3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CF3)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9290	0.062	4	107.9290	0.004	4	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0291	0.960	500	108.0291	0.921	500	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CHHI)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHI)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6790	0.000	1	107.6790	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9227	0.735	135	107.9227	0.540	135	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0541	1.025	149	108.0541	1.051	149	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CHHP)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHP)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9549	0.235	39	107.9549	0.055	39	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.1600	1.390	42	108.1600	1.933	42	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CHOO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CHOO)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7740	0.000	1	107.7740	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CIrCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CIrCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.2254	0.386	14	108.2254	0.149	14	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CN[5]CH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]CH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.1305	0.124	6	108.1305	0.015	6	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8295	0.558	163	107.8295	0.312	163	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CN[5a]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5a]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0187	0.448	9	108.0187	0.201	9	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CN[6]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[6]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6026	0.295	5	107.6026	0.087	5	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CN[6a]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[6a]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0420	0.000	1	108.0420	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(COPP)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(COPP)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6660	0.115	6	107.6660	0.013	6	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CPdCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CPdCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.4450	0.476	4	107.4450	0.227	4	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CPtCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CPtCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9170	0.000	1	107.9170	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CReCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CReCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.3410	0.000	1	108.3410	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CRhCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CRhCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.3822	0.161	6	108.3822	0.026	6	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CRhHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CRhHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0360	0.000	1	108.0360	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CRuCC)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CRuCC)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.4236	0.089	5	108.4236	0.008	5	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CRuCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CRuCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.5723	0.158	3	108.5723	0.025	3	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CSeCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CSeCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6190	0.105	2	107.6190	0.011	2	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CSeHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CSeHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7307	0.139	3	107.7307	0.019	3	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CSiHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CSiHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6550	0.000	1	107.6550	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CTaHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CTaHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.3820	0.000	1	108.3820	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(CB[6,6]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CB[6,6]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6238	0.148	4	107.6238	0.022	4	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(CBrHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CBrHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.2030	0.000	1	107.2030	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(CCCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9172	0.140	9	107.9172	0.020	9	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(CCCO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCCO)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.5190	0.000	1	107.5190	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9079	0.515	117	107.9079	0.266	117	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(CCHO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHO)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6885	0.310	6	107.6885	0.096	6	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(CCHS)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHS)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9310	0.000	1	107.9310	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(CC[5]CH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CC[5]CH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.4480	0.000	1	107.4480	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(CC[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CC[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7375	0.040	2	107.7375	0.002	2	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(CC[6a]CH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CC[6a]CH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9010	0.068	2	107.9010	0.005	2	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.1571	0.977	10	108.1571	0.954	10	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(CCdOO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCdOO)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.5710	0.000	1	107.5710	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0767	0.909	51	108.0767	0.826	51	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8603	0.250	55	107.8603	0.063	55	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHO)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.1151	0.762	29	108.1151	0.581	29	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(CHHP)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHP)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9190	0.136	23	107.9190	0.019	23	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(CHHS)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHS)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9195	0.114	11	107.9195	0.013	11	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(CN[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.1753	2.692	18	108.1753	7.245	18	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(CN[5a]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CN[5a]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8345	0.066	2	107.8345	0.004	2	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(COPP)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]N[5])(COPP)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9340	0.000	1	107.9340	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(CSeHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CSeHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7488	0.194	4	107.7488	0.038	4	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]O[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]O[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0600	0.000	1	108.0600	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]P[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]P[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	106.8250	0.000	1	106.8250	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]P[5])(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]P[5])(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8410	0.000	1	107.8410	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]P[5])(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]P[5])(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0680	0.000	1	108.0680	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]S[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]S[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0297	0.792	9	108.0297	0.628	9	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]S[5])(CC[6a]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]S[5])(CC[6a]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6004	0.121	5	107.6004	0.015	5	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]S[5])(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]S[5])(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7825	0.005	2	107.7825	0.000	2	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]S[5])(CN[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]S[5])(CN[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6185	0.094	2	107.6185	0.009	2	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]Ga[5,5]C[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]Ga[5,5]C[5])(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6867	0.185	3	107.6867	0.034	3	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.4357	0.165	7	107.4357	0.027	7	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]Ge[5,5,6]C[5,6a])(CC3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]Ge[5,5,6]C[5,6a])(CC3)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.3790	0.017	2	107.3790	0.000	2	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.5757	0.210	114	107.5757	0.044	114	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]N[5,5]C[5])(CC[5,6,6]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]N[5,5]C[5])(CC[5,6,6]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.3480	0.037	2	107.3480	0.001	2	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]N[5]2)(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]N[5]2)(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0095	0.221	2	108.0095	0.049	2	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]N[5]2)(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]N[5]2)(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8600	0.200	3	107.8600	0.040	3	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]P[3x5]C[5])(CCCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]P[3x5]C[5])(CCCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.5563	0.115	3	107.5563	0.013	3	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]P[5,6]C[5])(CClHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]P[5,6]C[5])(CClHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7760	0.000	1	107.7760	0.000	1	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]P[5,6]C[5])(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]P[5,6]C[5])(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.2175	0.651	4	107.2175	0.424	4	107.9064	1.322	3542	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C[3x6]-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[3x6]C[6,6]3)(H)2	H(CC[3x6]N[5]H)	H(CC[3x6]N[5]H)	C(N[5]C[5,6a]C[5])(C[3x6]C[6,6]3)(H)2	H(CC[3x6]N[5]H)	H(CC[3x6]N[5]H)	107.6500	0.000	1	107.6500	0.000	1	107.6500	0.000	1	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]C[5])(C[5]S[5]2H)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(N[5]C[5,6]C[5])(C[5]S[5]2H)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	107.6530	0.078	2	107.6530	0.006	2	108.0293	0.711	29	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(C[5]C[5]2C)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(N[5]C[5,6a]C[5,5])(C[5]C[5]2C)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	110.7850	0.000	1	110.7850	0.000	1	108.0293	0.711	29	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[5]C[5]2Fe)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(N[5]C[5,6a]C[5])(C[5]C[5]2Fe)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	108.0027	0.112	4	108.0027	0.013	4	108.0293	0.711	29	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	108.0394	1.382	7	108.0394	1.909	7	108.0293	0.711	29	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[5]O[5]2H)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(N[5]C[5,6a]C[5])(C[5]O[5]2H)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	107.9580	0.000	1	107.9580	0.000	1	108.0293	0.711	29	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	107.8964	0.183	8	107.8964	0.033	8	108.0293	0.711	29	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(C[5]C[5]2Mo)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(N[5]C[5]N[5])(C[5]C[5]2Mo)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	107.8980	0.000	1	107.8980	0.000	1	108.0293	0.711	29	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(C[5]C[5]2W)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(N[5]C[5]N[5])(C[5]C[5]2W)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	108.0040	0.000	1	108.0040	0.000	1	108.0293	0.711	29	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]P[5])(C[5]C[5]2Fe)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(N[5]C[5]P[5])(C[5]C[5]2Fe)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	107.8930	0.000	1	107.8930	0.000	1	108.0293	0.711	29	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[5]P[5,6]C[5])(C[5]C[5]2Fe)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(N[5]P[5,6]C[5])(C[5]C[5]2Fe)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	107.8490	0.060	3	107.8490	0.004	3	108.0293	0.711	29	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6]C[6]2H)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(N[5]C[5,6]C[5])(C[6]C[6]2H)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	107.7200	0.000	1	107.7200	0.000	1	108.2537	0.182	13	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6]C[6]2H)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(N[5]C[5,6a]C[5])(C[6]C[6]2H)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	107.8020	0.122	3	107.8020	0.015	3	108.2537	0.182	13	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6]C[6]2Ru)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(N[5]C[5,6a]C[5])(C[6]C[6]2Ru)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	108.4440	0.357	7	108.4440	0.127	7	108.2537	0.182	13	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(C[6]C[6]2Ru)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(N[5]C[5]N[5])(C[6]C[6]2Ru)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	108.5320	0.296	2	108.5320	0.087	2	108.2537	0.182	13	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(NFeCC)(H)2	H(CN[5]HN)	H(CN[5]HN)	C(N[5]C[5]2)(NFeCC)(H)2	H(CN[5]HN)	H(CN[5]HN)	108.6330	0.000	1	108.6330	0.000	1	108.4145	0.071	48	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(NNiCH)(H)2	H(CN[5]HN)	H(CN[5]HN)	C(N[5]C[5]2)(NNiCH)(H)2	H(CN[5]HN)	H(CN[5]HN)	107.4910	0.000	1	107.4910	0.000	1	108.4145	0.071	48	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(NCHV)(H)2	H(CN[5]HN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NCHV)(H)2	H(CN[5]HN)	H(CN[5]HN)	108.2330	0.379	2	108.2330	0.144	2	108.4145	0.071	48	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(NC[6a]CdC)(H)2	H(CN[5]HN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NC[6a]CdC)(H)2	H(CN[5]HN)	H(CN[5]HN)	108.4700	0.153	2	108.4700	0.023	2	108.4145	0.071	48	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(NCdCC)(H)2	H(CN[5]HN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NCdCC)(H)2	H(CN[5]HN)	H(CN[5]HN)	108.2571	0.169	8	108.2571	0.029	8	108.4145	0.071	48	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(NCoCC)(H)2	H(CN[5]HN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NCoCC)(H)2	H(CN[5]HN)	H(CN[5]HN)	108.5290	0.275	19	108.5290	0.075	19	108.4145	0.071	48	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(NCrCC)(H)2	H(CN[5]HN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NCrCC)(H)2	H(CN[5]HN)	H(CN[5]HN)	108.6120	0.000	1	108.6120	0.000	1	108.4145	0.071	48	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(NFeCC)(H)2	H(CN[5]HN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NFeCC)(H)2	H(CN[5]HN)	H(CN[5]HN)	108.3980	0.023	2	108.3980	0.001	2	108.4145	0.071	48	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:N-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(NNiCC)(H)2	H(CN[5]HN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NNiCC)(H)2	H(CN[5]HN)	H(CN[5]HN)	108.4042	0.124	12	108.4042	0.015	12	108.4145	0.071	48	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(PC[6a]2Pd)(H)2	H(CN[5]HP)	H(CN[5]HP)	C(N[5]C[5,6a]C[5])(PC[6a]2Pd)(H)2	H(CN[5]HP)	H(CN[5]HP)	108.6230	0.079	3	108.6230	0.006	3	108.4399	0.217	41	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(PC[6a]2Rh)(H)2	H(CN[5]HP)	H(CN[5]HP)	C(N[5]C[5,6a]C[5])(PC[6a]2Rh)(H)2	H(CN[5]HP)	H(CN[5]HP)	108.7652	0.122	6	108.7652	0.015	6	108.4399	0.217	41	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(PC[6a]2Ru)(H)2	H(CN[5]HP)	H(CN[5]HP)	C(N[5]C[5,6a]C[5])(PC[6a]2Ru)(H)2	H(CN[5]HP)	H(CN[5]HP)	108.8830	0.000	1	108.8830	0.000	1	108.4399	0.217	41	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]Ge[5])(PCoCC)(H)2	H(CN[5]HP)	H(CN[5]HP)	C(N[5]C[5,6a]Ge[5])(PCoCC)(H)2	H(CN[5]HP)	H(CN[5]HP)	108.1075	0.080	2	108.1075	0.006	2	108.4399	0.217	41	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]Ge[5])(PRhCC)(H)2	H(CN[5]HP)	H(CN[5]HP)	C(N[5]C[5,6a]Ge[5])(PRhCC)(H)2	H(CN[5]HP)	H(CN[5]HP)	108.0180	0.522	2	108.0180	0.272	2	108.4399	0.217	41	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]In[3x5])(PNiCC)(H)2	H(CN[5]HP)	H(CN[5]HP)	C(N[5]C[5,6a]In[3x5])(PNiCC)(H)2	H(CN[5]HP)	H(CN[5]HP)	108.0310	0.000	1	108.0310	0.000	1	108.4399	0.217	41	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]Si[5])(PC[6a]2Co)(H)2	H(CN[5]HP)	H(CN[5]HP)	C(N[5]C[5,6a]Si[5])(PC[6a]2Co)(H)2	H(CN[5]HP)	H(CN[5]HP)	108.5146	0.173	10	108.5146	0.030	10	108.4399	0.217	41	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]Si[5])(PC[6a]2Pd)(H)2	H(CN[5]HP)	H(CN[5]HP)	C(N[5]C[5,6a]Si[5])(PC[6a]2Pd)(H)2	H(CN[5]HP)	H(CN[5]HP)	108.4767	0.076	4	108.4767	0.006	4	108.4399	0.217	41	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]Si[5])(PC[6a]2Rh)(H)2	H(CN[5]HP)	H(CN[5]HP)	C(N[5]C[5,6a]Si[5])(PC[6a]2Rh)(H)2	H(CN[5]HP)	H(CN[5]HP)	108.6548	0.934	5	108.6548	0.872	5	108.4399	0.217	41	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]Si[5])(PRhCC)(H)2	H(CN[5]HP)	H(CN[5]HP)	C(N[5]C[5,6a]Si[5])(PRhCC)(H)2	H(CN[5]HP)	H(CN[5]HP)	108.1435	0.136	2	108.1435	0.019	2	108.4399	0.217	41	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(PCOO)(H)2	H(CN[5]HP)	H(CN[5]HP)	C(N[5]C[5]2)(PCOO)(H)2	H(CN[5]HP)	H(CN[5]HP)	107.5920	0.000	1	107.5920	0.000	1	108.4399	0.217	41	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(PHOO)(H)2	H(CN[5]HP)	H(CN[5]HP)	C(N[5]C[5]2)(PHOO)(H)2	H(CN[5]HP)	H(CN[5]HP)	107.8220	0.000	1	107.8220	0.000	1	108.4399	0.217	41	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(PO3)(H)2	H(CN[5]HP)	H(CN[5]HP)	C(N[5]C[5]2)(PO3)(H)2	H(CN[5]HP)	H(CN[5]HP)	107.7245	0.078	2	107.7245	0.006	2	108.4399	0.217	41	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5])(PPdCC)(H)2	H(CN[5]HP)	H(CN[5]HP)	C(N[5]C[5]N[5])(PPdCC)(H)2	H(CN[5]HP)	H(CN[5]HP)	108.9330	0.000	1	108.9330	0.000	1	108.4399	0.217	41	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:S-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(SO3)(H)2	H(CN[5]HS)	H(CN[5]HS)	C(N[5]C[5]2)(SO3)(H)2	H(CN[5]HS)	H(CN[5]HS)	107.8843	0.222	6	107.8843	0.049	6	107.8843	0.049	6	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(SiC3)(H)2	H(CN[5]SiH)	H(CN[5]SiH)	C(N[5]C[5,6a]C[5])(SiC3)(H)2	H(CN[5]SiH)	H(CN[5]SiH)	107.7620	0.091	4	107.7620	0.008	4	107.6111	0.151	7	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(SiC[6a]CC)(H)2	H(CN[5]SiH)	H(CN[5]SiH)	C(N[5]C[5,6a]C[5])(SiC[6a]CC)(H)2	H(CN[5]SiH)	H(CN[5]SiH)	107.8540	0.000	1	107.8540	0.000	1	107.6111	0.151	7	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(SiCCF)(H)2	H(CN[5]SiH)	H(CN[5]SiH)	C(N[5]C[5]2)(SiCCF)(H)2	H(CN[5]SiH)	H(CN[5]SiH)	107.6190	0.000	1	107.6190	0.000	1	107.6111	0.151	7	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(SiSiCN)(H)2	H(CN[5]SiH)	H(CN[5]SiH)	C(N[5]C[5]2)(SiSiCN)(H)2	H(CN[5]SiH)	H(CN[5]SiH)	106.7570	0.000	1	106.7570	0.000	1	107.6111	0.151	7	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:B[5,5]-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(B[5,5]N[5,5]O[5]2)(H)2	H(CB[5,5]N[5a]H)	H(CB[5,5]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(B[5,5]N[5,5]O[5]2)(H)2	H(CB[5,5]N[5a]H)	H(CB[5,5]N[5a]H)	107.9380	0.495	2	107.9380	0.245	2	107.9380	0.245	2	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]B[5a]C[5a])(CC[6a]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]B[5a]C[5a])(CC[6a]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8665	0.445	2	107.8665	0.198	2	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,5a]2)(CCHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,5a]2)(CCHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8344	0.099	10	107.8344	0.010	10	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,5a]2)(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,5a]2)(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8270	0.000	1	107.8270	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6])(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,5a]C[5a,6])(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8400	0.058	2	107.8400	0.003	2	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7562	0.113	13	107.7562	0.013	13	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,5a]C[5a,6a])(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7923	0.057	3	107.7923	0.003	3	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,5a]C[5a])(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,5a]C[5a])(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8060	0.000	1	107.8060	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,5a]N[5a])(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,5a]N[5a])(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.0870	0.000	1	108.0870	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(CC3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CC3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.4760	0.000	1	107.4760	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(CCCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CCCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.6930	0.000	1	107.6930	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8784	0.145	19	107.8784	0.021	19	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8537	0.091	4	107.8537	0.008	4	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.9986	0.166	5	107.9986	0.027	5	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(CHHS)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CHHS)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8070	0.337	3	107.8070	0.114	3	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(CCHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6]N[5a])(CCHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7685	0.238	2	107.7685	0.057	2	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6]N[5a])(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.9493	0.193	3	107.9493	0.037	3	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]2)(CBrHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CBrHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.6085	0.039	2	107.6085	0.002	2	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]2)(CCCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.1360	0.000	1	108.1360	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]2)(CCFH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCFH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8160	0.000	1	107.8160	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]2)(CCHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7386	1.011	97	107.7386	1.022	97	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]2)(CC[5]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CC[5]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	106.1875	2.392	2	106.1875	5.722	2	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]2)(CClHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CClHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7180	0.000	1	107.7180	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]2)(CCuOO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCuOO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.5520	0.000	1	107.5520	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]2)(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8393	0.489	126	107.8393	0.239	126	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]2)(CHHI)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CHHI)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.6430	0.000	1	107.6430	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]2)(CHHN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CHHN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.5205	0.892	2	107.5205	0.795	2	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]2)(CHHO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CHHO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8320	0.054	2	107.8320	0.003	2	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]2)(CN[5]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CN[5]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8610	0.038	2	107.8610	0.001	2	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(CCHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]B[5a])(CCHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.5660	0.054	2	107.5660	0.003	2	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.6463	0.515	73	107.6463	0.266	73	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.6247	0.027	3	107.6247	0.001	3	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7463	0.101	4	107.7463	0.010	4	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a,6])(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8930	0.000	1	107.8930	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(CN[6]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a,6])(CN[6]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.2310	0.000	1	108.2310	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.2610	0.174	5	107.2610	0.030	5	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.0667	0.928	9	108.0667	0.861	9	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8283	0.734	119	107.8283	0.539	119	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8492	0.115	4	107.8492	0.013	4	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[5]HO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[5]HO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7975	0.008	2	107.7975	0.000	2	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[5a]HO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[5a]HO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.6630	0.000	1	108.6630	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.8101	1.792	7	108.8101	3.213	7	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[6a]HN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.9250	0.000	1	107.9250	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[6a]HO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.4001	0.953	7	108.4001	0.908	7	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CClHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CClHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.5745	1.240	2	108.5745	1.537	2	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.2068	0.939	41	108.2068	0.881	41	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7600	0.157	5	107.7600	0.024	5	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.8524	1.953	18	108.8524	3.813	18	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHP)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHP)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8355	0.117	4	107.8355	0.014	4	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7547	0.070	3	107.7547	0.005	3	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8946	0.084	5	107.8946	0.007	5	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CN[5a]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CN[5a]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.8820	0.000	1	108.8820	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	109.0176	2.367	5	109.0176	5.601	5	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CSeHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CSeHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.6220	0.000	1	107.6220	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]Ge[5a])(CC3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]Ge[5a])(CC3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.2807	0.026	3	107.2807	0.001	3	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CBr2C)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CBr2C)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.5430	0.000	1	107.5430	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CBrCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CBrCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.1150	0.000	1	108.1150	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8905	0.069	2	107.8905	0.005	2	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7378	0.764	37	107.7378	0.583	37	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8029	0.158	30	107.8029	0.025	30	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CC[5a]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CC[5a]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8960	0.000	1	107.8960	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CC[5a]HO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CC[5a]HO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.9600	0.119	2	107.9600	0.014	2	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CC[6a]HO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CC[6a]HO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.4450	1.236	4	108.4450	1.527	4	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CClHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CClHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.9785	0.302	2	107.9785	0.091	2	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7053	0.202	3	107.7053	0.041	3	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CHHN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CHHN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.1230	0.284	2	108.1230	0.081	2	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CN[5a]CH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CN[5a]CH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8620	0.007	2	107.8620	0.000	2	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CN[5a]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CN[5a]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.9440	0.078	2	107.9440	0.006	2	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CN[6a]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CN[6a]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.9482	0.103	5	107.9482	0.011	5	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.3077	0.150	11	107.3077	0.022	11	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CBrHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CBrHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8780	0.000	1	107.8780	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CC3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.3817	0.139	4	107.3817	0.019	4	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CCCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.6422	0.053	5	107.6422	0.003	5	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CCCO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCCO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.5790	0.000	1	107.5790	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8212	0.661	136	107.8212	0.437	136	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CCHO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.6553	1.980	21	108.6553	3.921	21	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CCHS)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHS)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7240	0.000	1	107.7240	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CC[5a]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[5a]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.1540	0.000	1	108.1540	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CC[6]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.6320	0.000	1	107.6320	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8530	0.124	21	107.8530	0.015	21	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]HO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6a]HO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.1950	0.652	11	108.1950	0.426	11	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CClHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CClHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7920	0.000	1	107.7920	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CFNN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CFNN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.9660	0.000	1	107.9660	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.9909	0.379	18	107.9909	0.144	18	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CHHI)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHI)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.5940	0.000	1	108.5940	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CHHN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8260	0.186	4	107.8260	0.035	4	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CHHO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.5015	1.588	43	108.5015	2.521	43	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CHHP)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHP)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.1270	0.000	1	108.1270	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CHHS)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHS)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.1702	0.095	5	108.1702	0.009	5	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CN[5]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CN[5]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.1470	0.000	1	108.1470	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.5530	1.059	10	108.5530	1.121	10	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]2)(CSeHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CSeHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8230	0.000	1	107.8230	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CBrHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CBrHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8685	0.063	2	107.8685	0.004	2	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.6737	0.115	4	107.6737	0.013	4	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.9405	0.392	10	107.9405	0.153	10	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCCO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCCO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.4980	0.000	1	107.4980	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.0832	1.167	99	108.0832	1.361	99	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8188	0.234	6	107.8188	0.055	6	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHS)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHS)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.9045	0.281	2	107.9045	0.079	2	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[5a]2C)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[5a]2C)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7635	0.035	2	107.7635	0.001	2	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[5a]HO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[5a]HO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.0200	0.112	3	108.0200	0.013	3	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]2H)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]2H)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7980	0.000	1	107.7980	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]2O)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]2O)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.6850	0.000	1	107.6850	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]CC)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]CC)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8690	0.000	1	107.8690	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]CH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]CH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.6780	0.000	1	107.6780	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	109.0630	1.965	36	109.0630	3.861	36	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8818	0.137	12	107.8818	0.019	12	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]HO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]HO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.0947	0.455	6	108.0947	0.207	6	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CF3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CF3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8918	0.071	4	107.8918	0.005	4	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CFNN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CFNN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.1855	0.099	4	108.1855	0.010	4	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7752	2.216	10	107.7752	4.911	10	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.1157	0.669	14	108.1157	0.448	14	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	109.0041	2.502	35	109.0041	6.258	35	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHP)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHP)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7970	0.000	1	107.7970	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHS)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHS)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8260	0.225	4	107.8260	0.051	4	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	112.2530	0.000	1	112.2530	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.7134	1.559	5	108.7134	2.431	5	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN[5a]CC)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN[5a]CC)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7120	0.000	1	107.7120	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.9893	0.350	28	107.9893	0.122	28	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(COPP)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(COPP)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7100	0.000	1	107.7100	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(CSeHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CSeHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7450	0.000	1	107.7450	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]O[5a])(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a]O[5a])(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.7450	0.000	1	108.7450	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]Ge[5a]C[5a])(CC3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]Ge[5a]C[5a])(CC3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.2880	0.112	5	107.2880	0.013	5	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.4766	0.192	14	107.4766	0.037	14	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]Ge[5a]C[5a])(CN[5a]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]Ge[5a]C[5a])(CN[5a]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8440	0.202	2	107.8440	0.041	2	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]N[5a]2)(CCCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CCCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.8220	0.000	1	107.8220	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]N[5a]2)(CCCO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CCCO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.5525	0.063	2	107.5525	0.004	2	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]N[5a]2)(CCHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CCHH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.0982	0.772	15	108.0982	0.596	15	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]N[5a]2)(CCHO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CCHO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.0600	0.000	1	108.0600	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]N[5a]2)(CC[6a]CH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CC[6a]CH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.9160	0.000	1	107.9160	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]N[5a]2)(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	108.1620	0.000	1	108.1620	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]N[5a]2)(CHHN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CHHN)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.9300	0.000	1	107.9300	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]N[5a]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7475	0.111	2	107.7475	0.012	2	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]N[5a]2)(CSeCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CSeCH)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.9300	0.000	1	107.9300	0.000	1	107.9816	1.046	1373	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C[3]-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[3]C[3]2C)(H)2	H(CN[5a]C[3]H)	H(CN[5a]C[3]H)	C(N[5a]C[5a,6a]C[5a])(C[3]C[3]2C)(H)2	H(CN[5a]C[3]H)	H(CN[5a]C[3]H)	108.2690	0.000	1	108.2690	0.000	1	108.2690	0.000	1	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C[3x6]-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]3)(H)2	H(CC[3x6]N[5a]H)	H(CC[3x6]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]3)(H)2	H(CC[3x6]N[5a]H)	H(CC[3x6]N[5a]H)	107.5755	0.040	2	107.5755	0.002	2	107.5755	0.002	2	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C[4]-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[4]C[4]2H)(H)2	H(CN[5a]C[4]H)	H(CN[5a]C[4]H)	C(N[5a]C[5a,6a]C[5a])(C[4]C[4]2H)(H)2	H(CN[5a]C[4]H)	H(CN[5a]C[4]H)	107.8580	0.000	1	107.8580	0.000	1	107.8580	0.000	1	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(C[5]C[5,5]O[5]H)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6]N[5a])(C[5]C[5,5]O[5]H)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	108.0450	0.000	1	108.0450	0.000	1	107.9317	0.456	47	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5,5]C[5]C)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5,5]C[5]C)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	107.3280	0.000	1	107.3280	0.000	1	107.9317	0.456	47	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	107.9201	0.113	8	107.9201	0.013	8	107.9317	0.456	47	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	107.7950	0.162	8	107.7950	0.026	8	107.9317	0.456	47	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]O[5]2H)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]O[5]2H)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	107.8008	0.126	4	107.8008	0.016	4	107.9317	0.456	47	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	107.7840	0.000	1	107.7840	0.000	1	107.9317	0.456	47	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	107.8836	1.471	8	107.8836	2.165	8	107.9317	0.456	47	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]2H)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[5]2H)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	108.0040	0.181	2	108.0040	0.033	2	107.9317	0.456	47	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]C)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]C)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	107.6270	0.000	1	107.6270	0.000	1	107.9317	0.456	47	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	109.1200	0.000	1	109.1200	0.000	1	107.9317	0.456	47	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	108.2121	0.543	9	108.2121	0.295	9	107.9317	0.456	47	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]S[5]C)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[5]S[5]C)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	107.6960	0.000	1	107.6960	0.000	1	107.9317	0.456	47	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[6a]O[5]2)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[6a]O[5]2)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	107.6390	0.182	2	107.6390	0.033	2	107.9317	0.456	47	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]O[6]H)(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]O[6]H)(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	107.9807	0.244	3	107.9807	0.059	3	107.8482	0.024	19	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	107.7867	0.231	3	107.7867	0.053	3	107.8482	0.024	19	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	C(N[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	107.8160	0.052	2	107.8160	0.003	2	107.8482	0.024	19	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	107.8437	0.116	10	107.8437	0.013	10	107.8482	0.024	19	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(N[5a]N[5a]2)(C[6]C[6]2H)(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	C(N[5a]N[5a]2)(C[6]C[6]2H)(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	107.7450	0.000	1	107.7450	0.000	1	107.8482	0.024	19	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:N-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]2)(NInCC)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	C(N[5a]C[5a,6a]2)(NInCC)(H)2	H(CN[5a]HN)	H(CN[5a]HN)	107.8640	0.000	1	107.8640	0.000	1	107.8640	0.000	1	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PBCC)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PBCC)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	107.3580	0.369	2	107.3580	0.136	2	108.8980	0.147	77	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PC[6]2Co)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PC[6]2Co)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	108.5020	0.000	1	108.5020	0.000	1	108.8980	0.147	77	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PC[6]2Ir)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PC[6]2Ir)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	109.0960	0.355	3	109.0960	0.126	3	108.8980	0.147	77	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PC[6a]2Ir)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PC[6a]2Ir)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	109.2805	0.131	2	109.2805	0.017	2	108.8980	0.147	77	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PC[6a]2Pt)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PC[6a]2Pt)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	108.7980	0.000	1	108.7980	0.000	1	108.8980	0.147	77	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PCoCC)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PCoCC)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	109.0842	0.113	8	109.0842	0.013	8	108.8980	0.147	77	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PIrCC)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PIrCC)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	108.9286	0.163	10	108.9286	0.027	10	108.8980	0.147	77	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PNiCC)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PNiCC)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	109.1852	0.120	17	109.1852	0.014	17	108.8980	0.147	77	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PPdCC)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PPdCC)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	108.9438	0.043	13	108.9438	0.002	13	108.8980	0.147	77	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PPtCC)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PPtCC)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	108.8105	0.094	4	108.8105	0.009	4	108.8980	0.147	77	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PRhCC)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PRhCC)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	108.8640	0.095	4	108.8640	0.009	4	108.8980	0.147	77	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PRuCC)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PRuCC)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	108.4834	0.343	11	108.4834	0.118	11	108.8980	0.147	77	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[5a]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a])(PPdCC)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	C(N[5a]C[5a]N[5a])(PPdCC)(H)2	H(CN[5a]HP)	H(CN[5a]HP)	108.8880	0.000	1	108.8880	0.000	1	108.8980	0.147	77	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6,6]C[3x6]2)(CH3)(H)2	H(CN[6,6]CH)	H(CN[6,6]CH)	C(N[6,6]C[3x6]2)(CH3)(H)2	H(CN[6,6]CH)	H(CN[6,6]CH)	107.8150	0.000	1	107.8150	0.000	1	107.3585	0.125	16	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	H(CN[6,6]CH)	H(CN[6,6]CH)	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	H(CN[6,6]CH)	H(CN[6,6]CH)	107.2228	0.295	12	107.2228	0.087	12	107.3585	0.125	16	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6,6]C[6,6]2)(CCHH)(H)2	H(CN[6,6]CH)	H(CN[6,6]CH)	C(N[6,6]C[6,6]2)(CCHH)(H)2	H(CN[6,6]CH)	H(CN[6,6]CH)	107.6140	0.000	1	107.6140	0.000	1	107.3585	0.125	16	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6,6]C[6,6]2)(CHHN)(H)2	H(CN[6,6]CH)	H(CN[6,6]CH)	C(N[6,6]C[6,6]2)(CHHN)(H)2	H(CN[6,6]CH)	H(CN[6,6]CH)	107.8900	0.000	1	107.8900	0.000	1	107.3585	0.125	16	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6,6]P[5,6,6]P[6,6])(CH3)(H)2	H(CN[6,6]CH)	H(CN[6,6]CH)	C(N[6,6]P[5,6,6]P[6,6])(CH3)(H)2	H(CN[6,6]CH)	H(CN[6,6]CH)	107.7430	0.000	1	107.7430	0.000	1	107.3585	0.125	16	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]B[6,6]C[6])(CN[6]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]B[6,6]C[6])(CN[6]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.6525	0.025	2	107.6525	0.001	2	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]B[6]C[6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]B[6]C[6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.2437	1.536	3	108.2437	2.360	3	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]B[6]C[6])(CCHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]B[6]C[6])(CCHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.9720	0.000	1	107.9720	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]B[6]C[6])(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]B[6]C[6])(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.8680	0.055	2	107.8680	0.003	2	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]B[6]C[6])(CHHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]B[6]C[6])(CHHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	112.8400	0.000	1	112.8400	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]B[6]C[6])(CN[6]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]B[6]C[6])(CN[6]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.4208	0.888	6	107.4208	0.788	6	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[5,5,6]C[6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[5,5,6]C[6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7030	0.000	1	107.7030	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[5,6,6]C[6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[5,6,6]C[6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	106.7810	0.000	1	106.7810	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[5,6,6]C[6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[5,6,6]C[6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.6848	0.155	11	107.6848	0.024	11	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[5,6]2)(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[5,6]2)(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.0480	0.000	1	108.0480	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[5,6]2)(CF3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[5,6]2)(CF3)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.6105	1.078	2	108.6105	1.163	2	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[5,6]2)(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[5,6]2)(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.9784	0.409	15	107.9784	0.167	15	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[5,6]C[6,6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[5,6]C[6,6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7860	0.000	1	107.7860	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[5,6]C[6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.5055	0.697	2	107.5055	0.485	2	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[5,6]C[6])(CC[5a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CC[5a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7580	0.352	2	107.7580	0.124	2	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[5,6]C[6])(CC[6]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CC[6]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.6030	0.025	2	107.6030	0.001	2	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[5,6]C[6])(CC[6a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CC[6a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.8325	0.221	2	107.8325	0.049	2	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[5,6]C[6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.6225	0.248	6	107.6225	0.062	6	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[5,6]C[6])(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7380	0.000	1	107.7380	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[5a,6]C[5,6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[5a,6]C[5,6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7270	0.000	1	107.7270	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]2)(CC[6a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6]2)(CC[6a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7370	0.000	1	107.7370	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]2)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6]2)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.9970	0.000	1	107.9970	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]2)(CHHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6]2)(CHHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.9270	0.109	2	107.9270	0.012	2	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]C[6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.3371	1.368	13	107.3371	1.871	13	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]C[6])(CC[5a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CC[5a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.3330	0.048	5	107.3330	0.002	5	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]C[6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.9415	0.004	2	107.9415	0.000	2	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]C[6])(CHHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CHHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	109.5675	1.430	2	109.5675	2.046	2	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]C[6])(CHOO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CHOO)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.9570	0.000	1	107.9570	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]2)(CC3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CC3)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.5867	0.861	4	107.5867	0.741	4	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]2)(CCCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.9687	0.126	3	107.9687	0.016	3	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.5038	0.964	52	107.5038	0.929	52	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]2)(CCHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.1934	0.275	12	108.1934	0.075	12	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]2)(CC[6]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CC[6]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.5815	0.021	2	107.5815	0.000	2	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]2)(CC[6a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CC[6a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.0380	0.000	1	108.0380	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]2)(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.5981	0.802	42	107.5981	0.644	42	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]2)(CHHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CHHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.2260	1.262	6	108.2260	1.594	6	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]B[6,6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]B[6,6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.6080	0.122	6	107.6080	0.015	6	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]B[6,6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]B[6,6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.6498	0.076	21	107.6498	0.006	21	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6,6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6,6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7600	0.000	1	107.7600	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6,6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6,6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.0570	0.000	1	108.0570	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(CC3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CC3)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.5200	0.163	2	107.5200	0.026	2	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.8820	0.219	2	107.8820	0.048	2	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.8640	0.832	33	107.8640	0.693	33	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.2170	0.000	1	108.2170	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.6384	0.249	5	107.6384	0.062	5	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(CFHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CFHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.8340	0.000	1	107.8340	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.0262	1.564	50	108.0262	2.447	50	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.8890	0.000	1	107.8890	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(CHHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CHHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.6050	0.000	1	107.6050	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(CN[5]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CN[5]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.4245	0.623	2	107.4245	0.388	2	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]N[6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]N[6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.9335	0.104	2	107.9335	0.011	2	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]S[6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]S[6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.4325	0.644	2	108.4325	0.415	2	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]S[6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]S[6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.4279	1.154	10	108.4279	1.332	10	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]Si[3x6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]Si[3x6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7577	0.226	3	107.7577	0.051	3	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]Si[6])(CC3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]Si[6])(CC3)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.2400	0.000	1	107.2400	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CBrCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CBrCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.8800	0.000	1	107.8800	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CC3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CC3)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.3434	0.187	5	107.3434	0.035	5	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CCCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CCCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.5957	0.053	3	107.5957	0.003	3	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CCCO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CCCO)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.5540	0.000	1	107.5540	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CCFF)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CCFF)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.0295	0.109	6	108.0295	0.012	6	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.9140	1.179	483	107.9140	1.391	483	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CCHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	109.8505	3.031	2	109.8505	9.189	2	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CCHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7722	0.246	6	107.7722	0.061	6	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CC[4]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[4]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7050	0.000	1	107.7050	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CC[5]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[5]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7804	0.233	5	107.7804	0.054	5	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CC[5a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[5a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.9035	0.583	2	107.9035	0.340	2	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CC[6]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.0280	0.328	3	108.0280	0.108	3	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.9252	0.460	33	107.9252	0.212	33	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CC[6a]HO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]HO)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.9747	0.110	3	107.9747	0.012	3	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CClHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CClHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	109.1525	2.709	4	109.1525	7.336	4	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CCuCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CCuCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.4000	0.000	1	108.4000	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.9604	0.575	144	107.9604	0.330	144	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.8582	1.555	61	107.8582	2.419	61	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CHHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.9817	1.060	63	107.9817	1.123	63	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CHHP)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHP)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.9430	0.000	1	107.9430	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CHHS)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHS)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.9766	0.561	14	107.9766	0.315	14	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CN[5]CH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CN[5]CH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.6585	0.155	2	107.6585	0.024	2	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CN[5]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CN[5]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7878	0.252	8	107.7878	0.063	8	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CN[5a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CN[5a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.2960	0.772	4	108.2960	0.596	4	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CN[6]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CN[6]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.0912	1.049	69	108.0912	1.101	69	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(CN[6a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(CN[6a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.8860	0.072	4	107.8860	0.005	4	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(COPP)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2)(COPP)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.9590	0.000	1	107.9590	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]N[6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]N[6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7330	0.290	5	107.7330	0.084	5	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]N[6])(CC[6a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]N[6])(CC[6a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	110.4340	0.000	1	110.4340	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]N[6])(CClHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]N[6])(CClHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	118.8310	0.000	1	118.8310	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]N[6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]N[6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.2280	0.392	2	108.2280	0.153	2	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]P[6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]P[6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.5560	0.000	1	107.5560	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]P[6])(CClHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]P[6])(CClHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.1407	0.203	4	108.1407	0.041	4	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]S[6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]S[6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7390	0.224	6	107.7390	0.050	6	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]S[6])(CC[6a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]S[6])(CC[6a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7020	0.000	1	107.7020	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]S[6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]S[6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.0683	0.079	3	108.0683	0.006	3	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]Ga[3x6]C[6])(CHHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]Ga[3x6]C[6])(CHHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.8050	0.267	3	107.8050	0.071	3	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]Ga[6,6]C[6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]Ga[6,6]C[6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.8990	0.000	1	107.8990	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]Ga[6,6]C[6])(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]Ga[6,6]C[6])(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.6180	0.000	1	108.6180	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]Ga[6]C[6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]Ga[6]C[6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.9450	0.000	1	107.9450	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]In[6]C[6])(CN[6]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]In[6]C[6])(CN[6]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.8240	0.000	1	107.8240	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]P[5,6,6]P[6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]P[5,6,6]P[6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7840	0.000	1	107.7840	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]P[5,6]C[6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]P[5,6]C[6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7670	0.000	1	107.7670	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]P[6,6]C[6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]P[6,6]C[6])(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.0838	1.373	14	107.0838	1.886	14	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]P[6,6]C[6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]P[6,6]C[6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.0591	0.601	7	108.0591	0.361	7	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]P[6,6]C[6])(CN[6]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]P[6,6]C[6])(CN[6]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	106.7100	0.000	1	106.7100	0.000	1	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]P[6,6]P[6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]P[6,6]P[6])(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.6920	0.093	2	107.6920	0.009	2	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]P[6]2)(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]P[6]2)(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7217	0.186	15	107.7217	0.035	15	107.8996	1.166	1359	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C[3]-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]C[6])(C[3]C[3]2H)(H)2	H(CC[3]N[6]H)	H(CC[3]N[6]H)	C(N[6]C[6,6]C[6])(C[3]C[3]2H)(H)2	H(CC[3]N[6]H)	H(CC[3]N[6]H)	107.7163	0.106	3	107.7163	0.011	3	107.7163	0.011	3	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[5]C[5]O[5]H)(H)2	H(CC[5]N[6]H)	H(CC[5]N[6]H)	C(N[6]C[6,6a]C[6])(C[5]C[5]O[5]H)(H)2	H(CC[5]N[6]H)	H(CC[5]N[6]H)	107.7290	0.000	1	107.7290	0.000	1	107.9090	0.033	6	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]P[6])(C[5]C[5]2Fe)(H)2	H(CC[5]N[6]H)	H(CC[5]N[6]H)	C(N[6]C[6]P[6])(C[5]C[5]2Fe)(H)2	H(CC[5]N[6]H)	H(CC[5]N[6]H)	108.1300	0.000	1	108.1300	0.000	1	107.9090	0.033	6	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[6]P[6,6]C[6])(C[5]C[5]2Fe)(H)2	H(CC[5]N[6]H)	H(CC[5]N[6]H)	C(N[6]P[6,6]C[6])(C[5]C[5]2Fe)(H)2	H(CC[5]N[6]H)	H(CC[5]N[6]H)	107.8988	0.167	4	107.8988	0.028	4	107.9090	0.033	6	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]2)(C[6]C[6]2H)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	C(N[6]C[6,6a]2)(C[6]C[6]2H)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	107.6500	0.000	1	107.6500	0.000	1	107.1130	0.577	2	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]B[6,6])(C[6]C[6]2H)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	C(N[6]C[6,6a]B[6,6])(C[6]C[6]2H)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	106.5760	0.000	1	106.5760	0.000	1	107.1130	0.577	2	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(NNiCH)(H)2	H(CN[6]HN)	H(CN[6]HN)	C(N[6]C[6]2)(NNiCH)(H)2	H(CN[6]HN)	H(CN[6]HN)	107.5120	0.000	1	107.5120	0.000	1	107.5120	0.000	1	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(PC[6]2Ir)(H)2	H(CN[6]HP)	H(CN[6]HP)	C(N[6]C[6,6a]C[6])(PC[6]2Ir)(H)2	H(CN[6]HP)	H(CN[6]HP)	109.9872	0.855	6	109.9872	0.731	6	108.7245	1.084	44	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(PC[6]2Rh)(H)2	H(CN[6]HP)	H(CN[6]HP)	C(N[6]C[6,6a]C[6])(PC[6]2Rh)(H)2	H(CN[6]HP)	H(CN[6]HP)	109.5080	0.000	2	109.5080	0.000	2	108.7245	1.084	44	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(PC[6]2Ru)(H)2	H(CN[6]HP)	H(CN[6]HP)	C(N[6]C[6,6a]C[6])(PC[6]2Ru)(H)2	H(CN[6]HP)	H(CN[6]HP)	109.3690	0.159	6	109.3690	0.025	6	108.7245	1.084	44	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(PC[6a]2Ir)(H)2	H(CN[6]HP)	H(CN[6]HP)	C(N[6]C[6,6a]C[6])(PC[6a]2Ir)(H)2	H(CN[6]HP)	H(CN[6]HP)	109.1427	0.463	6	109.1427	0.214	6	108.7245	1.084	44	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(PC[6a]2Os)(H)2	H(CN[6]HP)	H(CN[6]HP)	C(N[6]C[6,6a]C[6])(PC[6a]2Os)(H)2	H(CN[6]HP)	H(CN[6]HP)	109.8535	0.473	2	109.8535	0.224	2	108.7245	1.084	44	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6])(PC[6a]2Rh)(H)2	H(CN[6]HP)	H(CN[6]HP)	C(N[6]C[6,6a]C[6])(PC[6a]2Rh)(H)2	H(CN[6]HP)	H(CN[6]HP)	109.5930	0.983	2	109.5930	0.966	2	108.7245	1.084	44	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(PCCO)(H)2	H(CN[6]HP)	H(CN[6]HP)	C(N[6]C[6]2)(PCCO)(H)2	H(CN[6]HP)	H(CN[6]HP)	107.6825	0.213	2	107.6825	0.045	2	108.7245	1.084	44	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(PCCS)(H)2	H(CN[6]HP)	H(CN[6]HP)	C(N[6]C[6]2)(PCCS)(H)2	H(CN[6]HP)	H(CN[6]HP)	108.1310	0.000	1	108.1310	0.000	1	108.7245	1.084	44	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(PC[6a]2O)(H)2	H(CN[6]HP)	H(CN[6]HP)	C(N[6]C[6]2)(PC[6a]2O)(H)2	H(CN[6]HP)	H(CN[6]HP)	107.5995	0.469	2	107.5995	0.220	2	108.7245	1.084	44	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(PCuCC)(H)2	H(CN[6]HP)	H(CN[6]HP)	C(N[6]C[6]2)(PCuCC)(H)2	H(CN[6]HP)	H(CN[6]HP)	107.6043	0.255	7	107.6043	0.065	7	108.7245	1.084	44	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(PO3)(H)2	H(CN[6]HP)	H(CN[6]HP)	C(N[6]C[6]2)(PO3)(H)2	H(CN[6]HP)	H(CN[6]HP)	108.3315	1.145	2	108.3315	1.311	2	108.7245	1.084	44	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(PRuCH)(H)2	H(CN[6]HP)	H(CN[6]HP)	C(N[6]C[6]2)(PRuCH)(H)2	H(CN[6]HP)	H(CN[6]HP)	107.8180	0.000	1	107.8180	0.000	1	108.7245	1.084	44	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:P-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(PSeCC)(H)2	H(CN[6]HP)	H(CN[6]HP)	C(N[6]C[6]2)(PSeCC)(H)2	H(CN[6]HP)	H(CN[6]HP)	107.7140	0.178	5	107.7140	0.032	5	108.7245	1.084	44	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:S-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(SO3)(H)2	H(CN[6]HS)	H(CN[6]HS)	C(N[6]C[6]2)(SO3)(H)2	H(CN[6]HS)	H(CN[6]HS)	108.5180	0.000	1	108.5180	0.000	1	108.5180	0.000	1	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(SiCCF)(H)2	H(CN[6]SiH)	H(CN[6]SiH)	C(N[6]C[6]2)(SiCCF)(H)2	H(CN[6]SiH)	H(CN[6]SiH)	107.4890	0.272	2	107.4890	0.074	2	107.6558	0.050	5	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(SiCCO)(H)2	H(CN[6]SiH)	H(CN[6]SiH)	C(N[6]C[6]2)(SiCCO)(H)2	H(CN[6]SiH)	H(CN[6]SiH)	107.7910	0.168	2	107.7910	0.028	2	107.6558	0.050	5	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2)(SiCFF)(H)2	H(CN[6]SiH)	H(CN[6]SiH)	C(N[6]C[6]2)(SiCFF)(H)2	H(CN[6]SiH)	H(CN[6]SiH)	107.7190	0.000	1	107.7190	0.000	1	107.6558	0.050	5	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]B[6a,6a]C[6a,6a])(CCHH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]B[6a,6a]C[6a,6a])(CCHH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.6112	0.324	6	107.6112	0.105	6	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]B[6a]C[6a])(CC[5a]2H)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]B[6a]C[6a])(CC[5a]2H)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	108.9390	0.000	1	108.9390	0.000	1	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]B[6a]C[6a])(CH3)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]B[6a]C[6a])(CH3)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	105.8127	2.587	7	105.8127	6.691	7	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[5,6a]2)(CCHH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[5,6a]2)(CCHH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.8547	0.115	3	107.8547	0.013	3	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[5,6a]2)(CH3)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[5,6a]2)(CH3)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.6842	3.656	5	107.6842	13.367	5	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[5,6a]C[6a])(CH3)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[5,6a]C[6a])(CH3)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	108.0145	0.050	2	108.0145	0.003	2	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[5a,6a]C[6a,6a])(CH3)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[5a,6a]C[6a,6a])(CH3)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	108.1700	0.000	1	108.1700	0.000	1	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.8282	1.621	4	107.8282	2.628	4	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	109.9940	3.032	3	109.9940	9.190	3	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6,6a]C[6a])(CC3)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6,6a]C[6a])(CC3)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.4400	0.000	1	107.4400	0.000	1	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.9300	0.069	4	107.9300	0.005	4	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]2)(CCHH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CCHH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.7907	0.165	26	107.7907	0.027	26	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]2)(CClHH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CClHH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	108.1070	0.000	1	108.1070	0.000	1	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]2)(CH3)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CH3)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.4320	0.150	3	107.4320	0.022	3	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]2)(CHHO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CHHO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.8498	0.216	4	107.8498	0.047	4	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]2)(CN[6]HH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CN[6]HH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	108.0815	0.121	2	108.0815	0.015	2	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]B[6a])(CCHH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]B[6a])(CCHH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.5590	0.000	1	107.5590	0.000	1	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]C[6,6a])(CCCH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6,6a])(CCCH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.4010	0.000	1	107.4010	0.000	1	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	108.2129	1.282	17	108.2129	1.644	17	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.7970	0.000	1	107.7970	0.000	1	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CFHH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CFHH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.9640	0.000	1	107.9640	0.000	1	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.6073	2.256	63	107.6073	5.091	63	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CHHN)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CHHN)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	108.2950	0.000	1	108.2950	0.000	1	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CHHO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CHHO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	108.2060	0.000	1	108.2060	0.000	1	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CN[5]HH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CN[5]HH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	108.0185	0.149	2	108.0185	0.022	2	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CN[6]HH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CN[6]HH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	108.2280	0.000	1	108.2280	0.000	1	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(CCCH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCCH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.5760	0.000	1	107.5760	0.000	1	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(CCFF)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCFF)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	108.0778	0.201	5	108.0778	0.040	5	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	108.0959	1.846	113	108.0959	3.407	113	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(CCHO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.8280	0.223	2	107.8280	0.050	2	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(CC[5]HH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CC[5]HH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	108.0650	0.186	5	108.0650	0.035	5	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(CC[6a]CH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CC[6a]CH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.7610	0.000	1	107.7610	0.000	1	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(CC[6a]CO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CC[6a]CO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.7500	0.000	1	107.7500	0.000	1	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.8074	0.077	5	107.8074	0.006	5	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(CClHH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CClHH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	110.4510	3.298	2	110.4510	10.876	2	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(CF3)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CF3)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	108.0740	0.000	1	108.0740	0.000	1	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(CH3)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CH3)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.8980	1.439	53	107.8980	2.070	53	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(CHHN)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHN)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.8498	0.152	14	107.8498	0.023	14	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(CHHO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.8923	0.277	17	107.8923	0.077	17	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(CHHS)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHS)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.8402	0.281	4	107.8402	0.079	4	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(CN[6]HH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CN[6]HH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.9650	0.000	1	107.9650	0.000	1	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]N[6a])(CCHH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a]N[6a])(CCHH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.9827	0.208	3	107.9827	0.043	3	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]N[6a])(CClHH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a]N[6a])(CClHH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	111.0300	4.533	3	111.0300	20.553	3	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]N[6a])(CHHO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a]N[6a])(CHHO)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	107.7305	0.231	2	107.7305	0.053	2	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]N[6a])(CN[5a]HH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	C(N[6a]C[6a]N[6a])(CN[5a]HH)(H)2	H(CN[6a]CH)	H(CN[6a]CH)	108.0837	0.107	3	108.0837	0.011	3	107.9243	2.793	398	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C[3]-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[3]C[3]O[3]H)(H)2	H(CN[6a]C[3]H)	H(CN[6a]C[3]H)	C(N[6a]C[6a,6a]C[6a])(C[3]C[3]O[3]H)(H)2	H(CN[6a]C[3]H)	H(CN[6a]C[3]H)	107.8090	0.074	2	107.8090	0.005	2	107.8090	0.005	2	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(CN[6a]C[5]H)	H(CN[6a]C[5]H)	C(N[6a]C[6a]2)(C[5]C[5]2H)(H)2	H(CN[6a]C[5]H)	H(CN[6a]C[5]H)	108.8820	0.000	1	108.8820	0.000	1	108.8820	0.000	1	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:C[6]-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(C[6]C[6]S[6]H)(H)2	H(CN[6a]C[6]H)	H(CN[6a]C[6]H)	C(N[6a]C[5a,6a]C[6a])(C[6]C[6]S[6]H)(H)2	H(CN[6a]C[6]H)	H(CN[6a]C[6]H)	107.8330	0.000	1	107.8330	0.000	1	107.8330	0.000	1	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	N[6a]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a]N[6a])(SiC3)(H)2	H(CN[6a]SiH)	H(CN[6a]SiH)	C(N[6a]C[6a]N[6a])(SiC3)(H)2	H(CN[6a]SiH)	H(CN[6a]SiH)	107.2280	0.000	1	107.2280	0.000	1	107.2280	0.000	1	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OAgC)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OAgC)(CH3)(H)2	H(CCHO)	H(CCHO)	108.3392	0.091	5	108.3392	0.008	5	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OAl2)(CC3)(H)2	H(CCHO)	H(CCHO)	C(OAl2)(CC3)(H)2	H(CCHO)	H(CCHO)	107.6170	0.000	1	107.6170	0.000	1	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OAl2)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OAl2)(CH3)(H)2	H(CCHO)	H(CCHO)	107.8330	0.155	5	107.8330	0.024	5	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OAlC)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OAlC)(CH3)(H)2	H(CCHO)	H(CCHO)	107.9147	0.160	20	107.9147	0.026	20	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OAlMn)(CHHO)(H)2	H(CCHO)	H(CCHO)	C(OAlMn)(CHHO)(H)2	H(CCHO)	H(CCHO)	108.2428	0.046	5	108.2428	0.002	5	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OB[6,6]Co)(CHHN)(H)2	H(CCHO)	H(CCHO)	C(OB[6,6]Co)(CHHN)(H)2	H(CCHO)	H(CCHO)	108.3540	0.000	1	108.3540	0.000	1	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OB[6,6]Ni)(CHHN)(H)2	H(CCHO)	H(CCHO)	C(OB[6,6]Ni)(CHHN)(H)2	H(CCHO)	H(CCHO)	108.4090	0.000	1	108.4090	0.000	1	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OBaCo)(CHHN)(H)2	H(CCHO)	H(CCHO)	C(OBaCo)(CHHN)(H)2	H(CCHO)	H(CCHO)	108.1910	0.000	1	108.1910	0.000	1	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OC[5]Rh)(CHHP)(H)2	H(CCHO)	H(CCHO)	C(OC[5]Rh)(CHHP)(H)2	H(CCHO)	H(CCHO)	109.5430	0.041	2	109.5430	0.002	2	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6]Li)(CCHH)(H)2	H(CCHO)	H(CCHO)	C(OC[6]Li)(CCHH)(H)2	H(CCHO)	H(CCHO)	108.4175	0.042	2	108.4175	0.002	2	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6]Tb)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OC[6]Tb)(CH3)(H)2	H(CCHO)	H(CCHO)	108.0235	0.053	2	108.0235	0.003	2	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a]Ba)(CHHN)(H)2	H(CCHO)	H(CCHO)	C(OC[6a]Ba)(CHHN)(H)2	H(CCHO)	H(CCHO)	107.4935	2.080	2	107.4935	4.325	2	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a]Be)(CHHO)(H)2	H(CCHO)	H(CCHO)	C(OC[6a]Be)(CHHO)(H)2	H(CCHO)	H(CCHO)	109.2320	0.000	1	109.2320	0.000	1	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a]Ca)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OC[6a]Ca)(CH3)(H)2	H(CCHO)	H(CCHO)	107.8420	0.014	2	107.8420	0.000	2	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a]Co)(CHHO)(H)2	H(CCHO)	H(CCHO)	C(OC[6a]Co)(CHHO)(H)2	H(CCHO)	H(CCHO)	108.6190	0.000	1	108.6190	0.000	1	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a]Cr)(CN[5]2H)(H)2	H(CCHO)	H(CCHO)	C(OC[6a]Cr)(CN[5]2H)(H)2	H(CCHO)	H(CCHO)	108.1810	0.000	2	108.1810	0.000	2	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a]Ir)(CN[5]HH)(H)2	H(CCHO)	H(CCHO)	C(OC[6a]Ir)(CN[5]HH)(H)2	H(CCHO)	H(CCHO)	108.2990	0.000	1	108.2990	0.000	1	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a]Li)(CCHH)(H)2	H(CCHO)	H(CCHO)	C(OC[6a]Li)(CCHH)(H)2	H(CCHO)	H(CCHO)	108.3320	0.077	4	108.3320	0.006	4	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a]Ni)(CHHN)(H)2	H(CCHO)	H(CCHO)	C(OC[6a]Ni)(CHHN)(H)2	H(CCHO)	H(CCHO)	108.3920	0.000	1	108.3920	0.000	1	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a]Ni)(CHHO)(H)2	H(CCHO)	H(CCHO)	C(OC[6a]Ni)(CHHO)(H)2	H(CCHO)	H(CCHO)	108.6030	0.218	2	108.6030	0.047	2	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a]Pd)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OC[6a]Pd)(CH3)(H)2	H(CCHO)	H(CCHO)	107.8680	0.000	1	107.8680	0.000	1	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a]Rh)(CHHP)(H)2	H(CCHO)	H(CCHO)	C(OC[6a]Rh)(CHHP)(H)2	H(CCHO)	H(CCHO)	108.5710	0.000	1	108.5710	0.000	1	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a]Ru)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OC[6a]Ru)(CH3)(H)2	H(CCHO)	H(CCHO)	107.9190	0.048	2	107.9190	0.002	2	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a]Ru)(CHHO)(H)2	H(CCHO)	H(CCHO)	C(OC[6a]Ru)(CHHO)(H)2	H(CCHO)	H(CCHO)	107.8800	0.000	1	107.8800	0.000	1	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a]Ru)(CHHP)(H)2	H(CCHO)	H(CCHO)	C(OC[6a]Ru)(CHHP)(H)2	H(CCHO)	H(CCHO)	108.5957	0.093	3	108.5957	0.009	3	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OC[6a]V)(CCHH)(H)2	H(CCHO)	H(CCHO)	C(OC[6a]V)(CCHH)(H)2	H(CCHO)	H(CCHO)	107.8740	0.000	1	107.8740	0.000	1	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OCaC)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OCaC)(CH3)(H)2	H(CCHO)	H(CCHO)	107.9510	0.293	8	107.9510	0.086	8	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OCdH)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OCdH)(CH3)(H)2	H(CCHO)	H(CCHO)	107.3152	0.821	5	107.3152	0.673	5	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OCoCu)(CHHN)(H)2	H(CCHO)	H(CCHO)	C(OCoCu)(CHHN)(H)2	H(CCHO)	H(CCHO)	106.8930	0.000	1	106.8930	0.000	1	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OCoFe)(CCCN)(H)2	H(CCHO)	H(CCHO)	C(OCoFe)(CCCN)(H)2	H(CCHO)	H(CCHO)	108.2272	0.104	5	108.2272	0.011	5	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OCoH)(CC3)(H)2	H(CCHO)	H(CCHO)	C(OCoH)(CC3)(H)2	H(CCHO)	H(CCHO)	107.9350	0.000	1	107.9350	0.000	1	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OCoH)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OCoH)(CH3)(H)2	H(CCHO)	H(CCHO)	107.7942	0.260	5	107.7942	0.067	5	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OCr2)(CC3)(H)2	H(CCHO)	H(CCHO)	C(OCr2)(CC3)(H)2	H(CCHO)	H(CCHO)	107.6925	0.193	2	107.6925	0.037	2	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OCrC)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OCrC)(CH3)(H)2	H(CCHO)	H(CCHO)	107.7540	0.040	2	107.7540	0.002	2	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OCrMo)(CCCN)(H)2	H(CCHO)	H(CCHO)	C(OCrMo)(CCCN)(H)2	H(CCHO)	H(CCHO)	107.3875	0.037	2	107.3875	0.001	2	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OCrZn)(CHHN)(H)2	H(CCHO)	H(CCHO)	C(OCrZn)(CHHN)(H)2	H(CCHO)	H(CCHO)	108.4053	0.062	3	108.4053	0.004	3	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OCuC)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OCuC)(CH3)(H)2	H(CCHO)	H(CCHO)	108.1140	0.163	2	108.1140	0.026	2	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OCuH)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OCuH)(CH3)(H)2	H(CCHO)	H(CCHO)	107.6589	0.484	10	107.6589	0.234	10	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(ODyC)(CH3)(H)2	H(CCHO)	H(CCHO)	C(ODyC)(CH3)(H)2	H(CCHO)	H(CCHO)	108.3145	0.493	2	108.3145	0.243	2	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OEuH)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OEuH)(CH3)(H)2	H(CCHO)	H(CCHO)	107.8310	0.000	1	107.8310	0.000	1	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OFe2)(CC3)(H)2	H(CCHO)	H(CCHO)	C(OFe2)(CC3)(H)2	H(CCHO)	H(CCHO)	107.5704	0.105	5	107.5704	0.011	5	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OFe2)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OFe2)(CH3)(H)2	H(CCHO)	H(CCHO)	106.0045	2.702	2	106.0045	7.300	2	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OFeC)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OFeC)(CH3)(H)2	H(CCHO)	H(CCHO)	107.7763	0.125	4	107.7763	0.016	4	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OFeH)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OFeH)(CH3)(H)2	H(CCHO)	H(CCHO)	107.1957	1.868	12	107.1957	3.488	12	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OFeHo)(CHHN)(H)2	H(CCHO)	H(CCHO)	C(OFeHo)(CHHN)(H)2	H(CCHO)	H(CCHO)	108.1880	0.202	2	108.1880	0.041	2	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OGaC)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OGaC)(CH3)(H)2	H(CCHO)	H(CCHO)	107.8375	0.202	2	107.8375	0.041	2	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OGeC)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OGeC)(CH3)(H)2	H(CCHO)	H(CCHO)	112.0280	0.989	2	112.0280	0.977	2	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OIn[5,5]H)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OIn[5,5]H)(CH3)(H)2	H(CCHO)	H(CCHO)	107.9240	0.000	1	107.9240	0.000	1	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OIn[6]2)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OIn[6]2)(CH3)(H)2	H(CCHO)	H(CCHO)	106.7190	0.000	1	106.7190	0.000	1	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OIrH)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OIrH)(CH3)(H)2	H(CCHO)	H(CCHO)	107.9320	0.000	1	107.9320	0.000	1	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OLi2)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OLi2)(CH3)(H)2	H(CCHO)	H(CCHO)	105.9190	0.000	1	105.9190	0.000	1	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OLiC)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OLiC)(CH3)(H)2	H(CCHO)	H(CCHO)	107.9350	0.488	148	107.9350	0.238	148	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OLiH)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OLiH)(CH3)(H)2	H(CCHO)	H(CCHO)	107.7240	0.249	2	107.7240	0.062	2	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OLiSi)(CCHN)(H)2	H(CCHO)	H(CCHO)	C(OLiSi)(CCHN)(H)2	H(CCHO)	H(CCHO)	108.0250	0.000	1	108.0250	0.000	1	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OLiSi)(CHHO)(H)2	H(CCHO)	H(CCHO)	C(OLiSi)(CHHO)(H)2	H(CCHO)	H(CCHO)	108.4037	0.029	3	108.4037	0.001	3	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OLiSn)(CHHN)(H)2	H(CCHO)	H(CCHO)	C(OLiSn)(CHHN)(H)2	H(CCHO)	H(CCHO)	108.1710	0.000	1	108.1710	0.000	1	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OMg2)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OMg2)(CH3)(H)2	H(CCHO)	H(CCHO)	107.8133	0.066	3	107.8133	0.004	3	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OMgC)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OMgC)(CH3)(H)2	H(CCHO)	H(CCHO)	108.2983	2.605	42	108.2983	6.787	42	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OMgH)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OMgH)(CH3)(H)2	H(CCHO)	H(CCHO)	107.9707	0.101	3	107.9707	0.010	3	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OMgSi)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OMgSi)(CH3)(H)2	H(CCHO)	H(CCHO)	107.8275	0.520	2	107.8275	0.270	2	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OMgSi)(CHHO)(H)2	H(CCHO)	H(CCHO)	C(OMgSi)(CHHO)(H)2	H(CCHO)	H(CCHO)	108.3230	0.058	2	108.3230	0.003	2	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OMn2)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OMn2)(CH3)(H)2	H(CCHO)	H(CCHO)	107.9253	0.073	3	107.9253	0.005	3	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OMnC)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OMnC)(CH3)(H)2	H(CCHO)	H(CCHO)	107.8455	0.233	4	107.8455	0.054	4	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OMnH)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OMnH)(CH3)(H)2	H(CCHO)	H(CCHO)	108.2084	1.044	26	108.2084	1.090	26	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OMnSb)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OMnSb)(CH3)(H)2	H(CCHO)	H(CCHO)	108.6283	2.744	4	108.6283	7.527	4	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OMo2)(CC3)(H)2	H(CCHO)	H(CCHO)	C(OMo2)(CC3)(H)2	H(CCHO)	H(CCHO)	107.6775	0.108	2	107.6775	0.012	2	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OMoC)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OMoC)(CH3)(H)2	H(CCHO)	H(CCHO)	108.0147	5.468	4	108.0147	29.894	4	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OMoH)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OMoH)(CH3)(H)2	H(CCHO)	H(CCHO)	108.2440	1.308	7	108.2440	1.712	7	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(ONb[5,5]C)(CH3)(H)2	H(CCHO)	H(CCHO)	C(ONb[5,5]C)(CH3)(H)2	H(CCHO)	H(CCHO)	108.0385	0.175	2	108.0385	0.031	2	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(ONiH)(CH3)(H)2	H(CCHO)	H(CCHO)	C(ONiH)(CH3)(H)2	H(CCHO)	H(CCHO)	106.9887	4.773	16	106.9887	22.779	16	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(ONiSb)(CH3)(H)2	H(CCHO)	H(CCHO)	C(ONiSb)(CH3)(H)2	H(CCHO)	H(CCHO)	107.4340	1.787	4	107.4340	3.195	4	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OPdC)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OPdC)(CH3)(H)2	H(CCHO)	H(CCHO)	108.0847	0.057	3	108.0847	0.003	3	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(ORh2)(CH3)(H)2	H(CCHO)	H(CCHO)	C(ORh2)(CH3)(H)2	H(CCHO)	H(CCHO)	112.4520	0.000	1	112.4520	0.000	1	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(ORhH)(CH3)(H)2	H(CCHO)	H(CCHO)	C(ORhH)(CH3)(H)2	H(CCHO)	H(CCHO)	107.7540	0.473	4	107.7540	0.224	4	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(ORu2)(CH3)(H)2	H(CCHO)	H(CCHO)	C(ORu2)(CH3)(H)2	H(CCHO)	H(CCHO)	108.5590	0.000	1	108.5590	0.000	1	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OSiSr)(CHHO)(H)2	H(CCHO)	H(CCHO)	C(OSiSr)(CHHO)(H)2	H(CCHO)	H(CCHO)	108.1940	0.127	2	108.1940	0.016	2	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OSiZn)(CHHO)(H)2	H(CCHO)	H(CCHO)	C(OSiZn)(CHHO)(H)2	H(CCHO)	H(CCHO)	108.3455	0.057	2	108.3455	0.003	2	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OSmH)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OSmH)(CH3)(H)2	H(CCHO)	H(CCHO)	107.9343	0.289	3	107.9343	0.083	3	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OSn2)(CC3)(H)2	H(CCHO)	H(CCHO)	C(OSn2)(CC3)(H)2	H(CCHO)	H(CCHO)	107.6025	0.119	34	107.6025	0.014	34	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OSn2)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OSn2)(CH3)(H)2	H(CCHO)	H(CCHO)	108.0321	0.724	15	108.0321	0.523	15	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OSnH)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OSnH)(CH3)(H)2	H(CCHO)	H(CCHO)	108.6280	1.083	2	108.6280	1.174	2	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OTaC)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OTaC)(CH3)(H)2	H(CCHO)	H(CCHO)	107.7127	0.436	6	107.7127	0.190	6	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OTbH)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OTbH)(CH3)(H)2	H(CCHO)	H(CCHO)	107.8860	0.122	2	107.8860	0.015	2	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OTcH)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OTcH)(CH3)(H)2	H(CCHO)	H(CCHO)	107.9820	0.000	1	107.9820	0.000	1	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OTi2)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OTi2)(CH3)(H)2	H(CCHO)	H(CCHO)	107.9030	0.051	2	107.9030	0.003	2	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OTiC)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OTiC)(CH3)(H)2	H(CCHO)	H(CCHO)	106.8037	2.238	3	106.8037	5.007	3	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OYbH)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OYbH)(CH3)(H)2	H(CCHO)	H(CCHO)	108.0290	0.000	1	108.0290	0.000	1	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OZn2)(CC3)(H)2	H(CCHO)	H(CCHO)	C(OZn2)(CC3)(H)2	H(CCHO)	H(CCHO)	107.6867	0.088	3	107.6867	0.008	3	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OZn2)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OZn2)(CH3)(H)2	H(CCHO)	H(CCHO)	108.1375	0.594	8	108.1375	0.353	8	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OZnC)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OZnC)(CH3)(H)2	H(CCHO)	H(CCHO)	107.7550	0.170	8	107.7550	0.029	8	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O-3:C-4:H-1:H-1:	C-4:	C-4:	C(OZnH)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OZnH)(CH3)(H)2	H(CCHO)	H(CCHO)	107.4321	0.766	9	107.4321	0.587	9	107.9335	1.917	541	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O[3]-3:C-4:H-1:H-1:	C-4:	C-4:	C(O[3]C[3]H[3])(CHHO)(H)2	H(CO[3]CH)	H(CO[3]CH)	C(O[3]C[3]H[3])(CHHO)(H)2	H(CO[3]CH)	H(CO[3]CH)	113.2670	0.000	1	113.2670	0.000	1	113.2670	0.000	1	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O[4]-3:C-4:H-1:H-1:	C-4:	C-4:	C(O[4]Ga[3x4]Ga[4])(CHHN)(H)2	H(CO[4]CH)	H(CO[4]CH)	C(O[4]Ga[3x4]Ga[4])(CHHN)(H)2	H(CO[4]CH)	H(CO[4]CH)	110.5870	3.202	3	110.5870	10.253	3	108.7289	6.349	8	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O[4]-3:C-4:H-1:H-1:	C-4:	C-4:	C(O[4]Ga[4]2)(CCHH)(H)2	H(CO[4]CH)	H(CO[4]CH)	C(O[4]Ga[4]2)(CCHH)(H)2	H(CO[4]CH)	H(CO[4]CH)	108.1570	0.000	1	108.1570	0.000	1	108.7289	6.349	8	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O[4]-3:C-4:H-1:H-1:	C-4:	C-4:	C(O[4]Ga[4]2)(CHHN)(H)2	H(CO[4]CH)	H(CO[4]CH)	C(O[4]Ga[4]2)(CHHN)(H)2	H(CO[4]CH)	H(CO[4]CH)	107.8810	0.000	1	107.8810	0.000	1	108.7289	6.349	8	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O[4]-3:C-4:H-1:H-1:	C-4:	C-4:	C(O[4]H[4]2)(CH3)(H)2	H(CO[4]CH)	H(CO[4]CH)	C(O[4]H[4]2)(CH3)(H)2	H(CO[4]CH)	H(CO[4]CH)	105.2670	0.000	1	105.2670	0.000	1	108.7289	6.349	8	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O[4]-3:C-4:H-1:H-1:	C-4:	C-4:	C(O[4]In[4]2)(CCHH)(H)2	H(CO[4]CH)	H(CO[4]CH)	C(O[4]In[4]2)(CCHH)(H)2	H(CO[4]CH)	H(CO[4]CH)	107.9900	0.000	1	107.9900	0.000	1	108.7289	6.349	8	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O[4]-3:C-4:H-1:H-1:	C-4:	C-4:	C(O[4]In[4]2)(CHHN)(H)2	H(CO[4]CH)	H(CO[4]CH)	C(O[4]In[4]2)(CHHN)(H)2	H(CO[4]CH)	H(CO[4]CH)	108.7750	0.000	1	108.7750	0.000	1	108.7289	6.349	8	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O[4]-3:Si-4:H-1:H-1:	C-4:	C-4:	C(O[4]Ga[4]2)(SiC3)(H)2	H(CO[4]SiH)	H(CO[4]SiH)	C(O[4]Ga[4]2)(SiC3)(H)2	H(CO[4]SiH)	H(CO[4]SiH)	107.3450	0.000	1	107.3450	0.000	1	107.3450	0.000	1	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	O[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(O[5]B[5]2)(CCHH)(H)2	H(CO[5]CH)	H(CO[5]CH)	C(O[5]B[5]2)(CCHH)(H)2	H(CO[5]CH)	H(CO[5]CH)	107.6490	0.000	1	107.6490	0.000	1	107.6490	0.000	1	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P-3:C-4:H-1:H-1:	C-4:	C-4:	C(PC[5]C)(CCCH)(H)2	H(CCHP)	H(CCHP)	C(PC[5]C)(CCCH)(H)2	H(CCHP)	H(CCHP)	107.5873	0.265	3	107.5873	0.070	3	107.9739	1.352	92	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P-3:C-4:H-1:H-1:	C-4:	C-4:	C(PC[5a]C)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[5a]C)(CH3)(H)2	H(CCHP)	H(CCHP)	107.8400	0.092	2	107.8400	0.008	2	107.9739	1.352	92	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P-3:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2)(CBHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2)(CBHH)(H)2	H(CCHP)	H(CCHP)	108.2989	0.352	7	108.2989	0.124	7	107.9739	1.352	92	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P-3:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2)(CC3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2)(CC3)(H)2	H(CCHP)	H(CCHP)	107.9955	1.051	4	107.9955	1.105	4	107.9739	1.352	92	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P-3:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2)(CCCH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2)(CCCH)(H)2	H(CCHP)	H(CCHP)	108.0930	0.000	1	108.0930	0.000	1	107.9739	1.352	92	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P-3:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2)(CCCO)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2)(CCCO)(H)2	H(CCHP)	H(CCHP)	107.4350	0.000	1	107.4350	0.000	1	107.9739	1.352	92	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P-3:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2)(CCHH)(H)2	H(CCHP)	H(CCHP)	108.0183	0.247	7	108.0183	0.061	7	107.9739	1.352	92	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P-3:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2)(CCHO)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2)(CCHO)(H)2	H(CCHP)	H(CCHP)	107.6845	0.009	2	107.6845	0.000	2	107.9739	1.352	92	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P-3:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.0448	0.256	5	108.0448	0.065	5	107.9739	1.352	92	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P-3:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2)(CHHO)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2)(CHHO)(H)2	H(CCHP)	H(CCHP)	107.7320	1.384	4	107.7320	1.916	4	107.9739	1.352	92	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P-3:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.7272	1.209	16	107.7272	1.462	16	107.9739	1.352	92	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P-3:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2)(CHHS)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2)(CHHS)(H)2	H(CCHP)	H(CCHP)	108.1640	0.887	5	108.1640	0.786	5	107.9739	1.352	92	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P-3:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]C)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]C)(CCHH)(H)2	H(CCHP)	H(CCHP)	109.1739	2.600	10	109.1739	6.761	10	107.9739	1.352	92	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P-3:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]C)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]C)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.6477	0.619	10	107.6477	0.383	10	107.9739	1.352	92	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P-3:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[3])(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]C[3])(CCHH)(H)2	H(CCHP)	H(CCHP)	108.0790	0.000	1	108.0790	0.000	1	107.9739	1.352	92	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P-3:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[5])(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]C[5])(CCHH)(H)2	H(CCHP)	H(CCHP)	108.1980	0.000	1	108.1980	0.000	1	107.9739	1.352	92	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P-3:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]H)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]H)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.8470	0.000	1	107.8470	0.000	1	107.9739	1.352	92	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P-3:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]H)(CHHO)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]H)(CHHO)(H)2	H(CCHP)	H(CCHP)	107.6430	0.000	1	107.6430	0.000	1	107.9739	1.352	92	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P-3:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]H)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]H)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.6720	0.000	1	107.6720	0.000	1	107.9739	1.352	92	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P-3:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]O)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]O)(CCHH)(H)2	H(CCHP)	H(CCHP)	106.6870	0.000	1	106.6870	0.000	1	107.9739	1.352	92	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P-3:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]P[5])(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]P[5])(CHHP)(H)2	H(CCHP)	H(CCHP)	108.0050	0.000	1	108.0050	0.000	1	107.9739	1.352	92	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P-3:C-4:H-1:H-1:	C-4:	C-4:	C(PPdC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PPdC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.7470	0.000	1	107.7470	0.000	1	107.9739	1.352	92	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P-3:C-4:H-1:H-1:	C-4:	C-4:	C(PPtC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PPtC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.2812	0.109	5	107.2812	0.012	5	107.9739	1.352	92	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P-3:C-4:H-1:H-1:	C-4:	C-4:	C(PRhP)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PRhP)(CH3)(H)2	H(CCHP)	H(CCHP)	107.9775	0.180	2	107.9775	0.033	2	107.9739	1.352	92	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P-3:Si-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	C(PC[6a]2)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	107.9537	0.027	3	107.9537	0.001	3	107.8492	0.044	4	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P-3:Si-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2)(SiCCN)(H)2	H(CSiHP)	H(CSiHP)	C(PC[6a]2)(SiCCN)(H)2	H(CSiHP)	H(CSiHP)	107.5360	0.000	1	107.5360	0.000	1	107.8492	0.044	4	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P[4]-3:C-4:H-1:H-1:	C-4:	C-4:	C(P[4]N[4]2)(CP[4]HH)(H)2	H(CP[4]CH)	H(CP[4]CH)	C(P[4]N[4]2)(CP[4]HH)(H)2	H(CP[4]CH)	H(CP[4]CH)	106.8280	0.000	1	106.8280	0.000	1	106.8280	0.000	1	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(P[5]P[5]2)(CCHH)(H)2	H(CP[5]CH)	H(CP[5]CH)	C(P[5]P[5]2)(CCHH)(H)2	H(CP[5]CH)	H(CP[5]CH)	108.1070	0.000	1	108.1070	0.000	1	107.9960	0.107	6	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P[5]-3:C-4:H-1:H-1:	C-4:	C-4:	C(P[5]P[5]2)(CH3)(H)2	H(CP[5]CH)	H(CP[5]CH)	C(P[5]P[5]2)(CH3)(H)2	H(CP[5]CH)	H(CP[5]CH)	107.9738	0.360	5	107.9738	0.130	5	107.9960	0.107	6	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6a]2)(PC[6a]2B)(H)2	H(CP[5]HP)	H(CP[5]HP)	C(P[5]C[5,6a]2)(PC[6a]2B)(H)2	H(CP[5]HP)	H(CP[5]HP)	108.2210	0.000	2	108.2210	0.000	2	108.2220	0.000	3	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P[5]-3:P-4:H-1:H-1:	C-4:	C-4:	C(P[5]C[5]2)(PC[6a]2B)(H)2	H(CP[5]HP)	H(CP[5]HP)	C(P[5]C[5]2)(PC[6a]2B)(H)2	H(CP[5]HP)	H(CP[5]HP)	108.2240	0.000	1	108.2240	0.000	1	108.2220	0.000	3	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	P[6]-3:N-4:H-1:H-1:	C-4:	C-4:	C(P[6]C[6]2)(NCHH)(H)2	H(CP[6]HN)	H(CP[6]HN)	C(P[6]C[6]2)(NCHH)(H)2	H(CP[6]HN)	H(CP[6]HN)	107.3980	0.120	2	107.3980	0.014	2	107.3980	0.014	2	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:B-4:H-1:H-1:	C-4:	C-4:	C(SC[3x6]Ni)(BC[6a]CC)(H)2	H(CBHS)	H(CBHS)	C(SC[3x6]Ni)(BC[6a]CC)(H)2	H(CBHS)	H(CBHS)	107.7720	0.284	2	107.7720	0.081	2	107.7720	0.081	2	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SAgFe)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SAgFe)(CHHS)(H)2	H(CCHS)	H(CCHS)	107.7728	0.180	4	107.7728	0.032	4	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SAgMo)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SAgMo)(CHHS)(H)2	H(CCHS)	H(CCHS)	108.1270	0.000	1	108.1270	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SAgRu)(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SAgRu)(CHHN)(H)2	H(CCHS)	H(CCHS)	107.7945	0.108	2	107.7945	0.012	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SAlC)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SAlC)(CH3)(H)2	H(CCHS)	H(CCHS)	107.8080	0.000	1	107.8080	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SAlCu)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SAlCu)(CHHS)(H)2	H(CCHS)	H(CCHS)	107.7700	0.160	7	107.7700	0.026	7	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SAuRu)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SAuRu)(CHHS)(H)2	H(CCHS)	H(CCHS)	107.8800	0.000	1	107.8800	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SB[3x3,3x5,12x6]C)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SB[3x3,3x5,12x6]C)(CHHS)(H)2	H(CCHS)	H(CCHS)	107.7200	0.000	1	107.7200	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SB[5x3,5x5,20x6]Pt)(CHHP)(H)2	H(CCHS)	H(CCHS)	C(SB[5x3,5x5,20x6]Pt)(CHHP)(H)2	H(CCHS)	H(CCHS)	107.8330	0.000	1	107.8330	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[3x6]Pt)(CHHP)(H)2	H(CCHS)	H(CCHS)	C(SC[3x6]Pt)(CHHP)(H)2	H(CCHS)	H(CCHS)	107.7340	0.000	1	107.7340	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5]Cu)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SC[5]Cu)(CCHH)(H)2	H(CCHS)	H(CCHS)	107.0400	0.126	3	107.0400	0.016	3	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5]Ir)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SC[5]Ir)(CH3)(H)2	H(CCHS)	H(CCHS)	107.2630	0.000	1	107.2630	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5]O)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SC[5]O)(CHHS)(H)2	H(CCHS)	H(CCHS)	108.1755	0.499	2	108.1755	0.249	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5]W)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SC[5]W)(CCHH)(H)2	H(CCHS)	H(CCHS)	107.8980	0.000	1	107.8980	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5a]O)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SC[5a]O)(CH3)(H)2	H(CCHS)	H(CCHS)	108.0207	0.148	22	108.0207	0.022	22	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5x3,5x5,20x6]Pt)(CHHP)(H)2	H(CCHS)	H(CCHS)	C(SC[5x3,5x5,20x6]Pt)(CHHP)(H)2	H(CCHS)	H(CCHS)	108.2480	0.130	2	108.2480	0.017	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6]Cu)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SC[6]Cu)(CCHH)(H)2	H(CCHS)	H(CCHS)	108.0482	7.679	4	108.0482	58.961	4	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6]Ir)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SC[6]Ir)(CHHS)(H)2	H(CCHS)	H(CCHS)	108.0710	0.023	2	108.0710	0.001	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6]Ni)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SC[6]Ni)(CCHH)(H)2	H(CCHS)	H(CCHS)	108.4430	4.153	7	108.4430	17.250	7	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6]O)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SC[6]O)(CCHH)(H)2	H(CCHS)	H(CCHS)	109.4270	0.000	1	109.4270	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6]O)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SC[6]O)(CH3)(H)2	H(CCHS)	H(CCHS)	108.1190	0.413	2	108.1190	0.171	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6]Pt)(CHHP)(H)2	H(CCHS)	H(CCHS)	C(SC[6]Pt)(CHHP)(H)2	H(CCHS)	H(CCHS)	108.0920	0.000	1	108.0920	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]2)(CBrHH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]2)(CBrHH)(H)2	H(CCHS)	H(CCHS)	111.8180	0.000	1	111.8180	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Ag)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Ag)(CCHH)(H)2	H(CCHS)	H(CCHS)	107.5450	0.089	2	107.5450	0.008	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Al)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Al)(CHHS)(H)2	H(CCHS)	H(CCHS)	107.7455	0.109	4	107.7455	0.012	4	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]C)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]C)(CCHH)(H)2	H(CCHS)	H(CCHS)	108.1633	0.133	3	108.1633	0.018	3	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Co)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Co)(CCHH)(H)2	H(CCHS)	H(CCHS)	107.4425	0.340	2	107.4425	0.116	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Cu)(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Cu)(CHHN)(H)2	H(CCHS)	H(CCHS)	106.3230	0.256	2	106.3230	0.066	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Cu)(CHHO)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Cu)(CHHO)(H)2	H(CCHS)	H(CCHS)	107.7260	0.154	2	107.7260	0.024	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Cu)(CHHP)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Cu)(CHHP)(H)2	H(CCHS)	H(CCHS)	108.1310	0.704	2	108.1310	0.496	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Cu)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Cu)(CHHS)(H)2	H(CCHS)	H(CCHS)	107.9935	0.708	2	107.9935	0.501	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Cu)(CN[5]2H)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Cu)(CN[5]2H)(H)2	H(CCHS)	H(CCHS)	107.2890	0.000	1	107.2890	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Fe)(CC3)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Fe)(CC3)(H)2	H(CCHS)	H(CCHS)	111.4280	0.000	1	111.4280	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Fe)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Fe)(CCHH)(H)2	H(CCHS)	H(CCHS)	107.7070	0.000	1	107.7070	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Fe)(CHHP)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Fe)(CHHP)(H)2	H(CCHS)	H(CCHS)	108.1220	0.000	1	108.1220	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Fe)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Fe)(CHHS)(H)2	H(CCHS)	H(CCHS)	109.0550	1.203	4	109.0550	1.447	4	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Ir)(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Ir)(CHHN)(H)2	H(CCHS)	H(CCHS)	108.1440	0.096	3	108.1440	0.009	3	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Ir)(CHHP)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Ir)(CHHP)(H)2	H(CCHS)	H(CCHS)	108.2265	0.548	2	108.2265	0.300	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Ir)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Ir)(CHHS)(H)2	H(CCHS)	H(CCHS)	108.0595	0.211	2	108.0595	0.045	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Ir)(CSeHH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Ir)(CSeHH)(H)2	H(CCHS)	H(CCHS)	108.2200	0.000	1	108.2200	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Mn)(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Mn)(CHHN)(H)2	H(CCHS)	H(CCHS)	108.0620	0.000	1	108.0620	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Mo)(CC3)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Mo)(CC3)(H)2	H(CCHS)	H(CCHS)	106.9893	0.053	3	106.9893	0.003	3	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]N)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]N)(CHHS)(H)2	H(CCHS)	H(CCHS)	107.9580	0.079	2	107.9580	0.006	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Ni)(CHHP)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Ni)(CHHP)(H)2	H(CCHS)	H(CCHS)	107.8330	0.000	1	107.8330	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Ni)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Ni)(CHHS)(H)2	H(CCHS)	H(CCHS)	107.7234	0.111	10	107.7234	0.012	10	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]O)(CCCH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]O)(CCCH)(H)2	H(CCHS)	H(CCHS)	107.7865	0.015	2	107.7865	0.000	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]O)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]O)(CCHH)(H)2	H(CCHS)	H(CCHS)	108.6966	3.248	5	108.6966	10.550	5	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]O)(CCHO)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]O)(CCHO)(H)2	H(CCHS)	H(CCHS)	108.0951	0.238	17	108.0951	0.057	17	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]O)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]O)(CH3)(H)2	H(CCHS)	H(CCHS)	108.8910	0.000	1	108.8910	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]O)(CHHO)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]O)(CHHO)(H)2	H(CCHS)	H(CCHS)	108.2790	0.000	1	108.2790	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]O)(CHHP)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]O)(CHHP)(H)2	H(CCHS)	H(CCHS)	108.0530	0.000	1	108.0530	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]O)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]O)(CHHS)(H)2	H(CCHS)	H(CCHS)	106.7900	0.000	1	106.7900	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Pd)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Pd)(CCHH)(H)2	H(CCHS)	H(CCHS)	107.4772	0.649	5	107.4772	0.421	5	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Pd)(CCHO)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Pd)(CCHO)(H)2	H(CCHS)	H(CCHS)	107.3955	0.482	2	107.3955	0.232	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Pd)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Pd)(CH3)(H)2	H(CCHS)	H(CCHS)	107.5166	0.052	5	107.5166	0.003	5	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Pd)(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Pd)(CHHN)(H)2	H(CCHS)	H(CCHS)	107.9444	0.177	5	107.9444	0.031	5	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Pd)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Pd)(CHHS)(H)2	H(CCHS)	H(CCHS)	108.0083	0.375	3	108.0083	0.141	3	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Pd)(CN[5]HH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Pd)(CN[5]HH)(H)2	H(CCHS)	H(CCHS)	107.7255	0.203	4	107.7255	0.041	4	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Pd)(CN[6]HH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Pd)(CN[6]HH)(H)2	H(CCHS)	H(CCHS)	108.1380	0.205	2	108.1380	0.042	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Pt)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Pt)(CCHH)(H)2	H(CCHS)	H(CCHS)	107.1130	0.216	2	107.1130	0.047	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Pt)(CHHP)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Pt)(CHHP)(H)2	H(CCHS)	H(CCHS)	108.3385	0.334	15	108.3385	0.111	15	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Rh)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Rh)(CCHH)(H)2	H(CCHS)	H(CCHS)	108.1670	0.150	2	108.1670	0.022	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Rh)(CHHP)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Rh)(CHHP)(H)2	H(CCHS)	H(CCHS)	108.1929	0.189	15	108.1929	0.036	15	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Rh)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Rh)(CHHS)(H)2	H(CCHS)	H(CCHS)	108.0035	0.152	2	108.0035	0.023	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Rh)(CN[5]HH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Rh)(CN[5]HH)(H)2	H(CCHS)	H(CCHS)	107.9930	0.000	1	107.9930	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Ru)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Ru)(CCHH)(H)2	H(CCHS)	H(CCHS)	108.0175	0.100	2	108.0175	0.010	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Ru)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Ru)(CH3)(H)2	H(CCHS)	H(CCHS)	107.7920	0.000	1	107.7920	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Ru)(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Ru)(CHHN)(H)2	H(CCHS)	H(CCHS)	108.3735	0.145	8	108.3735	0.021	8	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Ru)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Ru)(CHHS)(H)2	H(CCHS)	H(CCHS)	108.4430	1.737	7	108.4430	3.016	7	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Ru)(CN[5]HH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Ru)(CN[5]HH)(H)2	H(CCHS)	H(CCHS)	107.8480	0.775	2	107.8480	0.601	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]W)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]W)(CHHS)(H)2	H(CCHS)	H(CCHS)	108.0655	0.237	2	108.0655	0.056	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]Zn)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]Zn)(CHHS)(H)2	H(CCHS)	H(CCHS)	107.8372	0.454	4	107.8372	0.206	4	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SCdCo)(CCHN)(H)2	H(CCHS)	H(CCHS)	C(SCdCo)(CCHN)(H)2	H(CCHS)	H(CCHS)	108.4703	0.087	3	108.4703	0.008	3	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SCo2)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SCo2)(CH3)(H)2	H(CCHS)	H(CCHS)	107.7537	0.202	22	107.7537	0.041	22	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SCoC)(CC3)(H)2	H(CCHS)	H(CCHS)	C(SCoC)(CC3)(H)2	H(CCHS)	H(CCHS)	108.2196	0.880	12	108.2196	0.774	12	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SCoC)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SCoC)(CH3)(H)2	H(CCHS)	H(CCHS)	107.8836	0.284	7	107.8836	0.081	7	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SCoCu)(CCHN)(H)2	H(CCHS)	H(CCHS)	C(SCoCu)(CCHN)(H)2	H(CCHS)	H(CCHS)	108.5215	0.059	2	108.5215	0.003	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SCoFe)(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SCoFe)(CHHN)(H)2	H(CCHS)	H(CCHS)	108.5020	1.575	2	108.5020	2.482	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SCoFe)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SCoFe)(CHHS)(H)2	H(CCHS)	H(CCHS)	108.0350	0.092	5	108.0350	0.009	5	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SCoNi)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SCoNi)(CCHH)(H)2	H(CCHS)	H(CCHS)	107.4461	0.079	8	107.4461	0.006	8	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SCoPt)(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SCoPt)(CHHN)(H)2	H(CCHS)	H(CCHS)	109.5465	0.070	2	109.5465	0.005	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SCrC)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SCrC)(CH3)(H)2	H(CCHS)	H(CCHS)	108.2445	0.023	2	108.2445	0.001	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SCuC)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SCuC)(CH3)(H)2	H(CCHS)	H(CCHS)	106.4248	1.099	5	106.4248	1.207	5	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SCuGa)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SCuGa)(CHHS)(H)2	H(CCHS)	H(CCHS)	107.7469	0.150	10	107.7469	0.023	10	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SCuIn)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SCuIn)(CH3)(H)2	H(CCHS)	H(CCHS)	108.0090	0.307	2	108.0090	0.094	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SCuIn)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SCuIn)(CHHS)(H)2	H(CCHS)	H(CCHS)	107.8049	0.109	8	107.8049	0.012	8	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SCuMo)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SCuMo)(CHHS)(H)2	H(CCHS)	H(CCHS)	108.2357	0.302	4	108.2357	0.091	4	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SCuNi)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SCuNi)(CCHH)(H)2	H(CCHS)	H(CCHS)	107.4433	0.530	4	107.4433	0.281	4	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SCuNi)(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SCuNi)(CHHN)(H)2	H(CCHS)	H(CCHS)	108.4070	0.120	2	108.4070	0.014	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SCuSn)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SCuSn)(CHHS)(H)2	H(CCHS)	H(CCHS)	107.3303	0.616	3	107.3303	0.380	3	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SFe2)(CC3)(H)2	H(CCHS)	H(CCHS)	C(SFe2)(CC3)(H)2	H(CCHS)	H(CCHS)	107.1634	0.958	38	107.1634	0.918	38	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SFe2)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SFe2)(CH3)(H)2	H(CCHS)	H(CCHS)	108.0436	0.193	51	108.0436	0.037	51	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SFeC)(CC3)(H)2	H(CCHS)	H(CCHS)	C(SFeC)(CC3)(H)2	H(CCHS)	H(CCHS)	106.8150	0.000	1	106.8150	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SFeC)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SFeC)(CH3)(H)2	H(CCHS)	H(CCHS)	107.7980	0.000	1	107.7980	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SFeMo)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SFeMo)(CCHH)(H)2	H(CCHS)	H(CCHS)	107.1855	0.190	2	107.1855	0.036	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SFeNi)(CC3)(H)2	H(CCHS)	H(CCHS)	C(SFeNi)(CC3)(H)2	H(CCHS)	H(CCHS)	106.9900	0.206	2	106.9900	0.043	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SFeNi)(CCCS)(H)2	H(CCHS)	H(CCHS)	C(SFeNi)(CCCS)(H)2	H(CCHS)	H(CCHS)	107.9315	0.052	2	107.9315	0.003	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SFeNi)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SFeNi)(CCHH)(H)2	H(CCHS)	H(CCHS)	107.9471	0.887	22	107.9471	0.788	22	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SFeNi)(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SFeNi)(CHHN)(H)2	H(CCHS)	H(CCHS)	108.5475	0.217	8	108.5475	0.047	8	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SFePd)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SFePd)(CCHH)(H)2	H(CCHS)	H(CCHS)	107.3720	0.028	2	107.3720	0.001	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SFePd)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SFePd)(CHHS)(H)2	H(CCHS)	H(CCHS)	108.0685	0.046	2	108.0685	0.002	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SFeRe)(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SFeRe)(CHHN)(H)2	H(CCHS)	H(CCHS)	108.3260	0.000	1	108.3260	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SFeRu)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SFeRu)(CHHS)(H)2	H(CCHS)	H(CCHS)	107.6770	0.058	2	107.6770	0.003	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SGaC)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SGaC)(CH3)(H)2	H(CCHS)	H(CCHS)	107.8830	0.000	1	107.8830	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SInC)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SInC)(CH3)(H)2	H(CCHS)	H(CCHS)	107.2480	0.000	1	107.2480	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SIn[4]C)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SIn[4]C)(CH3)(H)2	H(CCHS)	H(CCHS)	107.7070	0.000	1	107.7070	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SIrC)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SIrC)(CH3)(H)2	H(CCHS)	H(CCHS)	108.2320	0.000	1	108.2320	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SIrMo)(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SIrMo)(CHHN)(H)2	H(CCHS)	H(CCHS)	109.5763	0.901	3	109.5763	0.812	3	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SIrNi)(CHHP)(H)2	H(CCHS)	H(CCHS)	C(SIrNi)(CHHP)(H)2	H(CCHS)	H(CCHS)	107.8240	0.004	2	107.8240	0.000	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SIrPd)(CHHP)(H)2	H(CCHS)	H(CCHS)	C(SIrPd)(CHHP)(H)2	H(CCHS)	H(CCHS)	108.0780	0.127	2	108.0780	0.016	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SIrPt)(CHHP)(H)2	H(CCHS)	H(CCHS)	C(SIrPt)(CHHP)(H)2	H(CCHS)	H(CCHS)	108.1550	0.122	2	108.1550	0.015	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SMnMo)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SMnMo)(CHHS)(H)2	H(CCHS)	H(CCHS)	108.5418	3.284	5	108.5418	10.785	5	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SMnNi)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SMnNi)(CH3)(H)2	H(CCHS)	H(CCHS)	108.0478	0.078	4	108.0478	0.006	4	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SMnNi)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SMnNi)(CHHS)(H)2	H(CCHS)	H(CCHS)	107.6767	0.097	4	107.6767	0.009	4	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SMo2)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SMo2)(CH3)(H)2	H(CCHS)	H(CCHS)	107.7045	0.182	2	107.7045	0.033	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SMoC)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SMoC)(CH3)(H)2	H(CCHS)	H(CCHS)	108.3690	0.070	3	108.3690	0.005	3	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SMoW)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SMoW)(CH3)(H)2	H(CCHS)	H(CCHS)	107.8946	0.156	7	107.8946	0.024	7	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SNbC)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SNbC)(CH3)(H)2	H(CCHS)	H(CCHS)	107.8610	0.000	1	107.8610	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SNi2)(CC3)(H)2	H(CCHS)	H(CCHS)	C(SNi2)(CC3)(H)2	H(CCHS)	H(CCHS)	106.9435	0.101	2	106.9435	0.010	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SNi2)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SNi2)(CH3)(H)2	H(CCHS)	H(CCHS)	108.1527	0.161	4	108.1527	0.026	4	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SNiC)(CC3)(H)2	H(CCHS)	H(CCHS)	C(SNiC)(CC3)(H)2	H(CCHS)	H(CCHS)	107.7670	0.000	1	107.7670	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SNiC)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SNiC)(CH3)(H)2	H(CCHS)	H(CCHS)	107.5430	0.000	1	107.5430	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SNiPd)(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SNiPd)(CHHN)(H)2	H(CCHS)	H(CCHS)	108.4270	0.194	4	108.4270	0.038	4	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SNiPt)(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SNiPt)(CHHN)(H)2	H(CCHS)	H(CCHS)	108.1790	0.000	1	108.1790	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SNiRh)(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SNiRh)(CHHN)(H)2	H(CCHS)	H(CCHS)	108.2134	0.500	7	108.2134	0.250	7	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SNiRh)(CHHP)(H)2	H(CCHS)	H(CCHS)	C(SNiRh)(CHHP)(H)2	H(CCHS)	H(CCHS)	108.1190	0.279	4	108.1190	0.078	4	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SNiRu)(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SNiRu)(CHHN)(H)2	H(CCHS)	H(CCHS)	108.8946	0.680	8	108.8946	0.463	8	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SPdC)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SPdC)(CH3)(H)2	H(CCHS)	H(CCHS)	107.6500	0.273	6	107.6500	0.075	6	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SPdRh)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SPdRh)(CCHH)(H)2	H(CCHS)	H(CCHS)	107.7930	0.242	5	107.7930	0.059	5	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SPdRh)(CHHP)(H)2	H(CCHS)	H(CCHS)	C(SPdRh)(CHHP)(H)2	H(CCHS)	H(CCHS)	108.1755	0.100	2	108.1755	0.010	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SPdRu)(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SPdRu)(CHHN)(H)2	H(CCHS)	H(CCHS)	110.8840	1.953	2	110.8840	3.814	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SPtC)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SPtC)(CH3)(H)2	H(CCHS)	H(CCHS)	108.6221	1.597	16	108.6221	2.551	16	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SPtRh)(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SPtRh)(CHHN)(H)2	H(CCHS)	H(CCHS)	108.2255	0.223	2	108.2255	0.050	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SPtRh)(CHHP)(H)2	H(CCHS)	H(CCHS)	C(SPtRh)(CHHP)(H)2	H(CCHS)	H(CCHS)	108.1426	0.178	8	108.1426	0.032	8	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SPtZn)(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SPtZn)(CHHN)(H)2	H(CCHS)	H(CCHS)	107.8400	0.000	1	107.8400	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SReC)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SReC)(CH3)(H)2	H(CCHS)	H(CCHS)	107.3350	0.000	1	107.3350	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SRhZn)(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SRhZn)(CHHN)(H)2	H(CCHS)	H(CCHS)	108.1075	0.441	10	108.1075	0.194	10	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SRu2)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SRu2)(CH3)(H)2	H(CCHS)	H(CCHS)	107.8740	0.143	2	107.8740	0.020	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SRuC)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SRuC)(CH3)(H)2	H(CCHS)	H(CCHS)	107.8055	0.250	2	107.8055	0.062	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SSbC)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SSbC)(CH3)(H)2	H(CCHS)	H(CCHS)	107.6400	0.000	1	107.6400	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SSnC)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SSnC)(CH3)(H)2	H(CCHS)	H(CCHS)	108.2405	0.046	2	108.2405	0.002	2	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(STaC)(CH3)(H)2	H(CCHS)	H(CCHS)	C(STaC)(CH3)(H)2	H(CCHS)	H(CCHS)	107.9990	0.000	1	107.9990	0.000	1	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S-3:C-4:H-1:H-1:	C-4:	C-4:	C(SZnC)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SZnC)(CH3)(H)2	H(CCHS)	H(CCHS)	110.0567	2.194	3	110.0567	4.815	3	107.9898	1.183	609	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(S[6]C[6]2)(CHHN)(H)2	H(CS[6]CH)	H(CS[6]CH)	C(S[6]C[6]2)(CHHN)(H)2	H(CS[6]CH)	H(CS[6]CH)	106.6110	0.000	1	106.6110	0.000	1	107.6573	0.825	3	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	S[6]-3:C-4:H-1:H-1:	C-4:	C-4:	C(S[6]N[6]2)(CH3)(H)2	H(CS[6]CH)	H(CS[6]CH)	C(S[6]N[6]2)(CH3)(H)2	H(CS[6]CH)	H(CS[6]CH)	108.1805	0.088	2	108.1805	0.008	2	107.6573	0.825	3	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeCC)(CH3)(H)2	H(CSeCH)	H(CSeCH)	C(SeCC)(CH3)(H)2	H(CSeCH)	H(CSeCH)	109.2060	0.000	1	109.2060	0.000	1	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[5]Cu)(CCCH)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[5]Cu)(CCCH)(H)2	H(CSeCH)	H(CSeCH)	106.9450	0.108	4	106.9450	0.012	4	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[5]Cu)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[5]Cu)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	107.4385	0.039	2	107.4385	0.002	2	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[5]Cu)(CHHN)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[5]Cu)(CHHN)(H)2	H(CSeCH)	H(CSeCH)	107.6742	0.101	6	107.6742	0.010	6	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[5]Cu)(CHHO)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[5]Cu)(CHHO)(H)2	H(CSeCH)	H(CSeCH)	107.9000	0.231	2	107.9000	0.053	2	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[5]Pd)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[5]Pd)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	103.8540	7.708	5	103.8540	59.414	5	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[5]Pd)(CHHN)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[5]Pd)(CHHN)(H)2	H(CSeCH)	H(CSeCH)	108.1365	0.108	2	108.1365	0.012	2	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[5]Pt)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[5]Pt)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	107.3660	0.068	3	107.3660	0.005	3	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[6]Pd)(CN[5]HH)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[6]Pd)(CN[5]HH)(H)2	H(CSeCH)	H(CSeCH)	107.7630	0.000	1	107.7630	0.000	1	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[6a]Cu)(CHHN)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[6a]Cu)(CHHN)(H)2	H(CSeCH)	H(CSeCH)	108.0370	0.000	1	108.0370	0.000	1	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[6a]Ir)(CHHN)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[6a]Ir)(CHHN)(H)2	H(CSeCH)	H(CSeCH)	108.2880	0.000	1	108.2880	0.000	1	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[6a]Ir)(CHHS)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[6a]Ir)(CHHS)(H)2	H(CSeCH)	H(CSeCH)	107.7080	0.000	1	107.7080	0.000	1	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[6a]Ir)(CSeHH)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[6a]Ir)(CSeHH)(H)2	H(CSeCH)	H(CSeCH)	107.7280	0.000	1	107.7280	0.000	1	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[6a]Pb)(CCCO)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[6a]Pb)(CCCO)(H)2	H(CSeCH)	H(CSeCH)	107.4940	0.021	2	107.4940	0.000	2	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[6a]Pd)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[6a]Pd)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	107.4038	0.452	4	107.4038	0.204	4	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[6a]Pd)(CCHO)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[6a]Pd)(CCHO)(H)2	H(CSeCH)	H(CSeCH)	107.2235	0.091	2	107.2235	0.008	2	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[6a]Pd)(CHHN)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[6a]Pd)(CHHN)(H)2	H(CSeCH)	H(CSeCH)	108.1580	0.164	5	108.1580	0.027	5	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[6a]Pd)(CN[5]HH)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[6a]Pd)(CN[5]HH)(H)2	H(CSeCH)	H(CSeCH)	107.7010	0.053	4	107.7010	0.003	4	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[6a]Pd)(CN[5a]HH)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[6a]Pd)(CN[5a]HH)(H)2	H(CSeCH)	H(CSeCH)	107.4370	0.000	1	107.4370	0.000	1	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[6a]Pd)(CN[6]HH)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[6a]Pd)(CN[6]HH)(H)2	H(CSeCH)	H(CSeCH)	108.2555	0.023	2	108.2555	0.001	2	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[6a]Pt)(CHHN)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[6a]Pt)(CHHN)(H)2	H(CSeCH)	H(CSeCH)	108.2390	0.000	1	108.2390	0.000	1	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[6a]Pt)(CHHP)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[6a]Pt)(CHHP)(H)2	H(CSeCH)	H(CSeCH)	107.9990	0.000	1	107.9990	0.000	1	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[6a]Rh)(CN[5]HH)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[6a]Rh)(CN[5]HH)(H)2	H(CSeCH)	H(CSeCH)	107.4210	0.000	1	107.4210	0.000	1	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[6a]Rh)(CSeHH)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[6a]Rh)(CSeHH)(H)2	H(CSeCH)	H(CSeCH)	107.8670	0.815	2	107.8670	0.664	2	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[6a]Ru)(CHHN)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[6a]Ru)(CHHN)(H)2	H(CSeCH)	H(CSeCH)	108.2260	0.000	1	108.2260	0.000	1	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[6a]Sn)(CCCO)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[6a]Sn)(CCCO)(H)2	H(CSeCH)	H(CSeCH)	108.1200	0.000	1	108.1200	0.000	1	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[6a]Zn)(CCCO)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[6a]Zn)(CCCO)(H)2	H(CSeCH)	H(CSeCH)	107.8230	0.298	2	107.8230	0.089	2	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeCuC)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	C(SeCuC)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	107.5305	0.463	2	107.5305	0.215	2	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeFe2)(CC3)(H)2	H(CSeCH)	H(CSeCH)	C(SeFe2)(CC3)(H)2	H(CSeCH)	H(CSeCH)	106.6813	0.110	3	106.6813	0.012	3	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeFe2)(CCCH)(H)2	H(CSeCH)	H(CSeCH)	C(SeFe2)(CCCH)(H)2	H(CSeCH)	H(CSeCH)	107.1250	0.000	1	107.1250	0.000	1	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeFe2)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	C(SeFe2)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	107.0055	0.268	2	107.0055	0.072	2	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeFe2)(CCHO)(H)2	H(CSeCH)	H(CSeCH)	C(SeFe2)(CCHO)(H)2	H(CSeCH)	H(CSeCH)	107.5119	0.351	17	107.5119	0.123	17	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeFe2)(CH3)(H)2	H(CSeCH)	H(CSeCH)	C(SeFe2)(CH3)(H)2	H(CSeCH)	H(CSeCH)	108.0960	0.000	1	108.0960	0.000	1	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeFeNi)(CCCS)(H)2	H(CSeCH)	H(CSeCH)	C(SeFeNi)(CCCS)(H)2	H(CSeCH)	H(CSeCH)	108.1975	0.040	2	108.1975	0.002	2	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeFeNi)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	C(SeFeNi)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	98.6651	8.325	3	98.6651	69.306	3	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeGaC)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	C(SeGaC)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	108.2060	0.000	1	108.2060	0.000	1	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeMnC)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	C(SeMnC)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	108.0943	1.219	4	108.0943	1.485	4	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeMnMo)(CSeHH)(H)2	H(CSeCH)	H(CSeCH)	C(SeMnMo)(CSeHH)(H)2	H(CSeCH)	H(CSeCH)	105.7755	9.043	2	105.7755	81.779	2	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeMo2)(CH3)(H)2	H(CSeCH)	H(CSeCH)	C(SeMo2)(CH3)(H)2	H(CSeCH)	H(CSeCH)	108.0630	0.000	1	108.0630	0.000	1	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeMoC)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	C(SeMoC)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	108.0845	0.023	2	108.0845	0.001	2	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SePdC)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	C(SePdC)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	90.0359	0.062	2	90.0359	0.004	2	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SePdRh)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	C(SePdRh)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	108.0980	0.000	1	108.0980	0.000	1	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SePtC)(CHHN)(H)2	H(CSeCH)	H(CSeCH)	C(SePtC)(CHHN)(H)2	H(CSeCH)	H(CSeCH)	109.0980	0.000	1	109.0980	0.000	1	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SePtC)(CHHO)(H)2	H(CSeCH)	H(CSeCH)	C(SePtC)(CHHO)(H)2	H(CSeCH)	H(CSeCH)	105.8958	1.995	4	105.8958	3.979	4	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SePtC)(CHHP)(H)2	H(CSeCH)	H(CSeCH)	C(SePtC)(CHHP)(H)2	H(CSeCH)	H(CSeCH)	108.0764	0.092	5	108.0764	0.008	5	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeReC)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	C(SeReC)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	108.1483	1.231	4	108.1483	1.516	4	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeRhSe)(CHHN)(H)2	H(CSeCH)	H(CSeCH)	C(SeRhSe)(CHHN)(H)2	H(CSeCH)	H(CSeCH)	109.4543	0.034	3	109.4543	0.001	3	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeRuC)(CC3)(H)2	H(CSeCH)	H(CSeCH)	C(SeRuC)(CC3)(H)2	H(CSeCH)	H(CSeCH)	107.8376	2.683	8	107.8376	7.197	8	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeSeTi)(CH3)(H)2	H(CSeCH)	H(CSeCH)	C(SeSeTi)(CH3)(H)2	H(CSeCH)	H(CSeCH)	107.8310	0.000	1	107.8310	0.000	1	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeSnC)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	C(SeSnC)(CCHH)(H)2	H(CSeCH)	H(CSeCH)	108.0910	0.000	1	108.0910	0.000	1	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Se-3:C-4:H-1:H-1:	C-4:	C-4:	C(SeSnC)(CH3)(H)2	H(CSeCH)	H(CSeCH)	C(SeSnC)(CH3)(H)2	H(CSeCH)	H(CSeCH)	108.1335	0.045	2	108.1335	0.002	2	107.0812	11.269	132	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Si-3:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[6]C)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[6]C)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.6538	0.131	6	107.6538	0.017	6	107.6411	0.031	10	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Si-3:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[6a]Si)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[6a]Si)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	107.5590	0.000	1	107.5590	0.000	1	107.6411	0.031	10	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Si-3:C-4:H-1:H-1:	C-4:	C-4:	C(SiMoC)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiMoC)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.5175	0.309	2	107.5175	0.095	2	107.6411	0.031	10	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:4:1:1:	4:	4:	Si-3:C-4:H-1:H-1:	C-4:	C-4:	C(SiSi[4]2)(CBHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiSi[4]2)(CBHH)(H)2	H(CSiCH)	H(CSiCH)	107.8940	0.000	1	107.8940	0.000	1	107.6411	0.031	10	107.8593	1.649	30483	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:5:1:1:	4:	4:	C[6]-3:P-5:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]NdCO)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]NdCO)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.2065	0.077	2	108.2065	0.006	2	108.2065	0.006	2	107.7202	0.268	45	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:5:1:1:	4:	4:	C[6]-3:Si-5:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(SiRu2CC)(H)2	H(CC[6]SiH)	H(CC[6]SiH)	C(C[6]C[6]N[6])(SiRu2CC)(H)2	H(CC[6]SiH)	H(CC[6]SiH)	108.0980	0.000	1	108.0980	0.000	1	108.0980	0.000	1	107.7202	0.268	45	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:5:1:1:	4:	4:	C[6a]-3:C-5:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CAl4)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CAl4)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6235	0.070	2	107.6235	0.005	2	107.6159	0.009	8	107.7202	0.268	45	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:5:1:1:	4:	4:	C[6a]-3:C-5:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CTiCHO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CTiCHO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6270	0.091	2	107.6270	0.008	2	107.6159	0.009	8	107.7202	0.268	45	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:5:1:1:	4:	4:	C[6a]-3:C-5:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CZrCHO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CZrCHO)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6065	0.125	4	107.6065	0.016	4	107.6159	0.009	8	107.7202	0.268	45	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:5:1:1:	4:	4:	C[6a]-3:Nb-5:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(NbClCOO)(H)2	H(CC[6a]NbH)	H(CC[6a]NbH)	C(C[6a]C[6a]2)(NbClCOO)(H)2	H(CC[6a]NbH)	H(CC[6a]NbH)	107.7895	1.942	2	107.7895	3.773	2	107.7895	3.773	2	107.7202	0.268	45	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:5:1:1:	4:	4:	C[6a]-3:P-5:H-1:H-1:	C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(PC[6a]2PrO)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[5,6a]C[6a])(PC[6a]2PrO)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.7452	0.060	4	107.7452	0.004	4	107.5224	0.099	21	107.7202	0.268	45	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:5:1:1:	4:	4:	C[6a]-3:P-5:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(PDyO3)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]2)(PDyO3)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.2827	0.240	6	107.2827	0.058	6	107.5224	0.099	21	107.7202	0.268	45	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:5:1:1:	4:	4:	C[6a]-3:P-5:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(PErO3)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]2)(PErO3)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.2870	0.284	3	107.2870	0.081	3	107.5224	0.099	21	107.7202	0.268	45	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:5:1:1:	4:	4:	C[6a]-3:P-5:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]NdCO)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]NdCO)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.5300	0.000	1	107.5300	0.000	1	107.5224	0.099	21	107.7202	0.268	45	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:5:1:1:	4:	4:	C[6a]-3:P-5:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PLaO3)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PLaO3)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.5470	0.172	3	107.5470	0.029	3	107.5224	0.099	21	107.7202	0.268	45	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:5:1:1:	4:	4:	C[6a]-3:P-5:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(PLi2CC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PLi2CC)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.9320	0.342	3	107.9320	0.117	3	107.5224	0.099	21	107.7202	0.268	45	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:5:1:1:	4:	4:	C[6a]-3:P-5:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2FF)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]2FF)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.4650	0.000	1	107.4650	0.000	1	107.5224	0.099	21	107.7202	0.268	45	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:5:1:1:	4:	4:	C[6a]-3:Si-5:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(SiCoCOO)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiCoCOO)(H)2	H(CC[6a]SiH)	H(CC[6a]SiH)	107.9680	0.146	2	107.9680	0.021	2	107.9680	0.021	2	107.7202	0.268	45	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:5:1:1:	4:	4:	N[5]-3:C-5:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CCCOU)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCOU)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6020	0.054	2	107.6020	0.003	2	107.8688	0.116	8	107.7202	0.268	45	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:5:1:1:	4:	4:	N[5]-3:C-5:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CCeCCO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CCeCCO)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7280	0.084	3	107.7280	0.007	3	107.8688	0.116	8	107.7202	0.268	45	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:5:1:1:	4:	4:	N[5]-3:C-5:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CRu3C)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CRu3C)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.4025	0.105	2	108.4025	0.011	2	107.8688	0.116	8	107.7202	0.268	45	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:5:1:1:	4:	4:	N[5]-3:C-5:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CRuH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2)(CRuH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7570	0.000	1	107.7570	0.000	1	107.8688	0.116	8	107.7202	0.268	45	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:5:1:1:	4:	4:	N[5a]-3:C-5:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHOO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHOO)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	109.5380	0.000	1	109.5380	0.000	1	109.5380	0.000	1	107.7202	0.268	45	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:6:1:1:	4:	4:	C[5]-3:P-6:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(PF5)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]N[5]2)(PF5)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.2910	0.000	1	107.2910	0.000	1	107.2910	0.000	1	108.4725	0.627	4	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	3:6:1:1:	4:	4:	N-3:P-6:H-1:H-1:	C-4:	C-4:	C(NC[6a]Mg)(PMg3CC)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]Mg)(PMg3CC)(H)2	H(CHNP)	H(CHNP)	108.8663	0.099	3	108.8663	0.010	3	108.8663	0.010	3	108.4725	0.627	4	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	As-4:H-1:H-1:H-1:	C-4:	C-4:	C(AsAsCC)(H)3	H(CAsHH)	H(CAsHH)	C(AsAsCC)(H)3	H(CAsHH)	H(CAsHH)	109.4685	0.040	8	109.4685	0.002	8	109.4277	0.521	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	As-4:H-1:H-1:H-1:	C-4:	C-4:	C(AsC3)(H)3	H(CAsHH)	H(CAsHH)	C(AsC3)(H)3	H(CAsHH)	H(CAsHH)	109.4584	0.078	21	109.4584	0.006	21	109.4277	0.521	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	As-4:H-1:H-1:H-1:	C-4:	C-4:	C(AsCCH)(H)3	H(CAsHH)	H(CAsHH)	C(AsCCH)(H)3	H(CAsHH)	H(CAsHH)	111.1400	2.476	4	111.1400	6.129	4	109.4277	0.521	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	As-4:H-1:H-1:H-1:	C-4:	C-4:	C(AsCCO)(H)3	H(CAsHH)	H(CAsHH)	C(AsCCO)(H)3	H(CAsHH)	H(CAsHH)	109.4843	0.053	18	109.4843	0.003	18	109.4277	0.521	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	As-4:H-1:H-1:H-1:	C-4:	C-4:	C(AsCCP)(H)3	H(CAsHH)	H(CAsHH)	C(AsCCP)(H)3	H(CAsHH)	H(CAsHH)	109.4634	0.059	26	109.4634	0.004	26	109.4277	0.521	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	As-4:H-1:H-1:H-1:	C-4:	C-4:	C(AsCOO)(H)3	H(CAsHH)	H(CAsHH)	C(AsCOO)(H)3	H(CAsHH)	H(CAsHH)	109.6968	0.913	18	109.6968	0.833	18	109.4277	0.521	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	As-4:H-1:H-1:H-1:	C-4:	C-4:	C(AsC[6a]2Pd)(H)3	H(CAsHH)	H(CAsHH)	C(AsC[6a]2Pd)(H)3	H(CAsHH)	H(CAsHH)	109.4588	0.072	5	109.4588	0.005	5	109.4277	0.521	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	As-4:H-1:H-1:H-1:	C-4:	C-4:	C(AsC[6a]AsC)(H)3	H(CAsHH)	H(CAsHH)	C(AsC[6a]AsC)(H)3	H(CAsHH)	H(CAsHH)	109.4697	0.020	10	109.4697	0.000	10	109.4277	0.521	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	As-4:H-1:H-1:H-1:	C-4:	C-4:	C(AsC[6a]BiC)(H)3	H(CAsHH)	H(CAsHH)	C(AsC[6a]BiC)(H)3	H(CAsHH)	H(CAsHH)	107.8785	2.011	11	107.8785	4.045	11	109.4277	0.521	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	As-4:H-1:H-1:H-1:	C-4:	C-4:	C(AsC[6a]CoC)(H)3	H(CAsHH)	H(CAsHH)	C(AsC[6a]CoC)(H)3	H(CAsHH)	H(CAsHH)	109.4652	0.328	15	109.4652	0.108	15	109.4277	0.521	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	As-4:H-1:H-1:H-1:	C-4:	C-4:	C(AsC[6a]MnC)(H)3	H(CAsHH)	H(CAsHH)	C(AsC[6a]MnC)(H)3	H(CAsHH)	H(CAsHH)	109.4710	0.053	5	109.4710	0.003	5	109.4277	0.521	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	As-4:H-1:H-1:H-1:	C-4:	C-4:	C(AsC[6a]RuC)(H)3	H(CAsHH)	H(CAsHH)	C(AsC[6a]RuC)(H)3	H(CAsHH)	H(CAsHH)	109.4756	0.061	19	109.4756	0.004	19	109.4277	0.521	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	As-4:H-1:H-1:H-1:	C-4:	C-4:	C(AsC[6a]SnC)(H)3	H(CAsHH)	H(CAsHH)	C(AsC[6a]SnC)(H)3	H(CAsHH)	H(CAsHH)	109.4725	0.042	4	109.4725	0.002	4	109.4277	0.521	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	As-4:H-1:H-1:H-1:	C-4:	C-4:	C(AsC[6a]TcC)(H)3	H(CAsHH)	H(CAsHH)	C(AsC[6a]TcC)(H)3	H(CAsHH)	H(CAsHH)	109.4440	0.049	10	109.4440	0.002	10	109.4277	0.521	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	As-4:H-1:H-1:H-1:	C-4:	C-4:	C(AsFe3)(H)3	H(CAsHH)	H(CAsHH)	C(AsFe3)(H)3	H(CAsHH)	H(CAsHH)	109.4870	0.044	8	109.4870	0.002	8	109.4277	0.521	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	As-4:H-1:H-1:H-1:	C-4:	C-4:	C(AsGaCC)(H)3	H(CAsHH)	H(CAsHH)	C(AsGaCC)(H)3	H(CAsHH)	H(CAsHH)	109.4554	0.068	11	109.4554	0.005	11	109.4277	0.521	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	As-4:H-1:H-1:H-1:	C-4:	C-4:	C(AsRuCC)(H)3	H(CAsHH)	H(CAsHH)	C(AsRuCC)(H)3	H(CAsHH)	H(CAsHH)	109.4004	0.322	35	109.4004	0.104	35	109.4277	0.521	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	As[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(As[5]C[5,6a]B[5]C)(H)3	H(CAs[5]HH)	H(CAs[5]HH)	C(As[5]C[5,6a]B[5]C)(H)3	H(CAs[5]HH)	H(CAs[5]HH)	109.4646	0.044	7	109.4646	0.002	7	109.4732	0.004	36	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	As[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(As[5]C[5,6a]C[5]C)(H)3	H(CAs[5]HH)	H(CAs[5]HH)	C(As[5]C[5,6a]C[5]C)(H)3	H(CAs[5]HH)	H(CAs[5]HH)	109.4856	0.065	8	109.4856	0.004	8	109.4732	0.004	36	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	As[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(As[5]C[5,6a]Ga[5]C)(H)3	H(CAs[5]HH)	H(CAs[5]HH)	C(As[5]C[5,6a]Ga[5]C)(H)3	H(CAs[5]HH)	H(CAs[5]HH)	109.4927	0.073	6	109.4927	0.005	6	109.4732	0.004	36	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	As[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(As[5]C[5,6a]In[5]C)(H)3	H(CAs[5]HH)	H(CAs[5]HH)	C(As[5]C[5,6a]In[5]C)(H)3	H(CAs[5]HH)	H(CAs[5]HH)	109.4732	0.062	5	109.4732	0.004	5	109.4732	0.004	36	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	As[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(As[5]C[5,6a]Nb[5,5]C)(H)3	H(CAs[5]HH)	H(CAs[5]HH)	C(As[5]C[5,6a]Nb[5,5]C)(H)3	H(CAs[5]HH)	H(CAs[5]HH)	109.4575	0.062	10	109.4575	0.004	10	109.4732	0.004	36	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	As[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(As[6]C[6]2Cu)(H)3	H(CAs[6]HH)	H(CAs[6]HH)	C(As[6]C[6]2Cu)(H)3	H(CAs[6]HH)	H(CAs[6]HH)	109.4563	0.034	7	109.4563	0.001	7	109.4709	0.002	36	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	As[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(As[6]C[6]2Pt)(H)3	H(CAs[6]HH)	H(CAs[6]HH)	C(As[6]C[6]2Pt)(H)3	H(CAs[6]HH)	H(CAs[6]HH)	109.4762	0.040	21	109.4762	0.002	21	109.4709	0.002	36	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	As[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(As[6]Ga[6]C[6]C)(H)3	H(CAs[6]HH)	H(CAs[6]HH)	C(As[6]Ga[6]C[6]C)(H)3	H(CAs[6]HH)	H(CAs[6]HH)	109.4699	0.072	8	109.4699	0.005	8	109.4709	0.002	36	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(BC[6a]C[5]2)(Cl)(H)2	H(CClBH)	H(CClBH)	C(BC[6a]C[5]2)(Cl)(H)2	H(CClBH)	H(CClBH)	108.1120	0.000	1	108.1120	0.000	1	108.1120	0.000	1	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B-4:H-1:H-1:H-1:	C-4:	C-4:	C(BC[5]2C)(H)3	H(CBHH)	H(CBHH)	C(BC[5]2C)(H)3	H(CBHH)	H(CBHH)	109.4761	0.042	12	109.4761	0.002	12	109.2518	1.490	252	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B-4:H-1:H-1:H-1:	C-4:	C-4:	C(BC[5]CC)(H)3	H(CBHH)	H(CBHH)	C(BC[5]CC)(H)3	H(CBHH)	H(CBHH)	109.4822	0.029	6	109.4822	0.001	6	109.2518	1.490	252	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B-4:H-1:H-1:H-1:	C-4:	C-4:	C(BC[5]N[6]F)(H)3	H(CBHH)	H(CBHH)	C(BC[5]N[6]F)(H)3	H(CBHH)	H(CBHH)	109.4917	0.152	3	109.4917	0.023	3	109.2518	1.490	252	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B-4:H-1:H-1:H-1:	C-4:	C-4:	C(BC[6]2C)(H)3	H(CBHH)	H(CBHH)	C(BC[6]2C)(H)3	H(CBHH)	H(CBHH)	109.4566	0.055	22	109.4566	0.003	22	109.2518	1.490	252	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B-4:H-1:H-1:H-1:	C-4:	C-4:	C(BC[6]N[6]C)(H)3	H(CBHH)	H(CBHH)	C(BC[6]N[6]C)(H)3	H(CBHH)	H(CBHH)	107.2041	3.388	12	107.2041	11.479	12	109.2518	1.490	252	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B-4:H-1:H-1:H-1:	C-4:	C-4:	C(BC[6a]2C)(H)3	H(CBHH)	H(CBHH)	C(BC[6a]2C)(H)3	H(CBHH)	H(CBHH)	109.4708	0.071	10	109.4708	0.005	10	109.2518	1.490	252	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B-4:H-1:H-1:H-1:	C-4:	C-4:	C(BC[6a]2C[5])(H)3	H(CBHH)	H(CBHH)	C(BC[6a]2C[5])(H)3	H(CBHH)	H(CBHH)	109.4667	0.035	3	109.4667	0.001	3	109.2518	1.490	252	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B-4:H-1:H-1:H-1:	C-4:	C-4:	C(BC[6a]2Pd)(H)3	H(CBHH)	H(CBHH)	C(BC[6a]2Pd)(H)3	H(CBHH)	H(CBHH)	109.4550	0.033	2	109.4550	0.001	2	109.2518	1.490	252	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B-4:H-1:H-1:H-1:	C-4:	C-4:	C(BC[6a]3)(H)3	H(CBHH)	H(CBHH)	C(BC[6a]3)(H)3	H(CBHH)	H(CBHH)	109.2019	1.106	65	109.2019	1.223	65	109.2518	1.490	252	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B-4:H-1:H-1:H-1:	C-4:	C-4:	C(BC[6a]C[5]N[6])(H)3	H(CBHH)	H(CBHH)	C(BC[6a]C[5]N[6])(H)3	H(CBHH)	H(CBHH)	109.4770	0.008	2	109.4770	0.000	2	109.2518	1.490	252	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B-4:H-1:H-1:H-1:	C-4:	C-4:	C(BC[6a]N[6]C)(H)3	H(CBHH)	H(CBHH)	C(BC[6a]N[6]C)(H)3	H(CBHH)	H(CBHH)	109.4513	0.026	3	109.4513	0.001	3	109.2518	1.490	252	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B-4:H-1:H-1:H-1:	C-4:	C-4:	C(BHHN)(H)3	H(CBHH)	H(CBHH)	C(BHHN)(H)3	H(CBHH)	H(CBHH)	108.2091	2.776	9	108.2091	7.705	9	109.2518	1.490	252	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B-4:H-1:H-1:H-1:	C-4:	C-4:	C(BN[5]2C)(H)3	H(CBHH)	H(CBHH)	C(BN[5]2C)(H)3	H(CBHH)	H(CBHH)	109.4755	0.050	52	109.4755	0.003	52	109.2518	1.490	252	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B-4:H-1:H-1:H-1:	C-4:	C-4:	C(BN[5]3)(H)3	H(CBHH)	H(CBHH)	C(BN[5]3)(H)3	H(CBHH)	H(CBHH)	109.4928	0.074	38	109.4928	0.006	38	109.2518	1.490	252	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B-4:H-1:H-1:H-1:	C-4:	C-4:	C(BN[5a]2H)(H)3	H(CBHH)	H(CBHH)	C(BN[5a]2H)(H)3	H(CBHH)	H(CBHH)	109.4761	0.039	11	109.4761	0.002	11	109.2518	1.490	252	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B-4:H-1:H-1:H-1:	C-4:	C-4:	C(BN[5a]3)(H)3	H(CBHH)	H(CBHH)	C(BN[5a]3)(H)3	H(CBHH)	H(CBHH)	109.4280	6.208	2	109.4280	38.544	2	109.2518	1.490	252	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(B[5]C[5,5a]N[5,6]C)(H)3	H(CB[5]HH)	H(CB[5]HH)	C(B[5]C[5,5a]N[5,6]C)(H)3	H(CB[5]HH)	H(CB[5]HH)	109.4873	0.060	6	109.4873	0.004	6	109.4755	0.002	43	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(B[5]C[5,6a]N[5,5]C)(H)3	H(CB[5]HH)	H(CB[5]HH)	C(B[5]C[5,6a]N[5,5]C)(H)3	H(CB[5]HH)	H(CB[5]HH)	109.4803	0.035	7	109.4803	0.001	7	109.4755	0.002	43	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(B[5]C[5,6a]N[5,6]C)(H)3	H(CB[5]HH)	H(CB[5]HH)	C(B[5]C[5,6a]N[5,6]C)(H)3	H(CB[5]HH)	H(CB[5]HH)	109.4698	0.052	17	109.4698	0.003	17	109.4755	0.002	43	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(B[5]C[5]N[5]Hf)(H)3	H(CB[5]HH)	H(CB[5]HH)	C(B[5]C[5]N[5]Hf)(H)3	H(CB[5]HH)	H(CB[5]HH)	109.4717	0.019	3	109.4717	0.000	3	109.4755	0.002	43	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(B[5]C[5]N[5]Ti)(H)3	H(CB[5]HH)	H(CB[5]HH)	C(B[5]C[5]N[5]Ti)(H)3	H(CB[5]HH)	H(CB[5]HH)	109.4743	0.060	6	109.4743	0.004	6	109.4755	0.002	43	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(B[5]N[5,6]C[6a]C[5])(H)3	H(CB[5]HH)	H(CB[5]HH)	C(B[5]N[5,6]C[6a]C[5])(H)3	H(CB[5]HH)	H(CB[5]HH)	109.4880	0.052	2	109.4880	0.003	2	109.4755	0.002	43	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(B[5]O[5]2O)(H)3	H(CB[5]HH)	H(CB[5]HH)	C(B[5]O[5]2O)(H)3	H(CB[5]HH)	H(CB[5]HH)	109.4680	0.062	2	109.4680	0.004	2	109.4755	0.002	43	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B[5a]-4:H-1:H-1:H-1:	C-4:	C-4:	C(B[5a]C[5a,6a]N[5,5a]C)(H)3	H(CB[5a]HH)	H(CB[5a]HH)	C(B[5a]C[5a,6a]N[5,5a]C)(H)3	H(CB[5a]HH)	H(CB[5a]HH)	109.4774	0.031	14	109.4774	0.001	14	109.4757	0.002	22	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B[5a]-4:H-1:H-1:H-1:	C-4:	C-4:	C(B[5a]N[5a,5a]N[5a,6]C[5])(H)3	H(CB[5a]HH)	H(CB[5a]HH)	C(B[5a]N[5a,5a]N[5a,6]C[5])(H)3	H(CB[5a]HH)	H(CB[5a]HH)	109.4567	0.059	3	109.4567	0.004	3	109.4757	0.002	22	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B[5a]-4:H-1:H-1:H-1:	C-4:	C-4:	C(B[5a]O[5a]2N[6])(H)3	H(CB[5a]HH)	H(CB[5a]HH)	C(B[5a]O[5a]2N[6])(H)3	H(CB[5a]HH)	H(CB[5a]HH)	109.4824	0.068	5	109.4824	0.005	5	109.4757	0.002	22	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(B[6,6]N[5a,6,6]N[5a,6]O[6])(H)3	H(CB[6,6]HH)	H(CB[6,6]HH)	C(B[6,6]N[5a,6,6]N[5a,6]O[6])(H)3	H(CB[6,6]HH)	H(CB[6,6]HH)	109.4500	0.041	3	109.4500	0.002	3	109.4500	0.002	3	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B[6,6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(B[6,6]C[6,6]2N[6])(H)2(I)	H(CB[6,6]HI)	H(CB[6,6]HI)	C(B[6,6]C[6,6]2N[6])(H)2(I)	H(CB[6,6]HI)	H(CB[6,6]HI)	107.6320	0.000	1	107.6320	0.000	1	107.6320	0.000	1	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(B[6]C[6]2Dy)(H)3	H(CB[6]HH)	H(CB[6]HH)	C(B[6]C[6]2Dy)(H)3	H(CB[6]HH)	H(CB[6]HH)	109.4733	0.025	3	109.4733	0.001	3	109.2526	5.018	50	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(B[6]C[6]2Er)(H)3	H(CB[6]HH)	H(CB[6]HH)	C(B[6]C[6]2Er)(H)3	H(CB[6]HH)	H(CB[6]HH)	109.4527	0.052	3	109.4527	0.003	3	109.2526	5.018	50	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(B[6]C[6]2Mg)(H)3	H(CB[6]HH)	H(CB[6]HH)	C(B[6]C[6]2Mg)(H)3	H(CB[6]HH)	H(CB[6]HH)	105.7001	10.135	3	105.7001	102.710	3	109.2526	5.018	50	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(B[6]C[6]2Mo)(H)3	H(CB[6]HH)	H(CB[6]HH)	C(B[6]C[6]2Mo)(H)3	H(CB[6]HH)	H(CB[6]HH)	109.4440	0.000	1	109.4440	0.000	1	109.2526	5.018	50	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(B[6]C[6]2Y)(H)3	H(CB[6]HH)	H(CB[6]HH)	C(B[6]C[6]2Y)(H)3	H(CB[6]HH)	H(CB[6]HH)	109.4760	0.034	6	109.4760	0.001	6	109.2526	5.018	50	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(B[6]C[6]2Zr)(H)3	H(CB[6]HH)	H(CB[6]HH)	C(B[6]C[6]2Zr)(H)3	H(CB[6]HH)	H(CB[6]HH)	109.4864	0.049	11	109.4864	0.002	11	109.2526	5.018	50	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(B[6]N[5,6]2C)(H)3	H(CB[6]HH)	H(CB[6]HH)	C(B[6]N[5,6]2C)(H)3	H(CB[6]HH)	H(CB[6]HH)	109.5155	0.060	6	109.5155	0.004	6	109.2526	5.018	50	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(B[6]N[5a,6]2C)(H)3	H(CB[6]HH)	H(CB[6]HH)	C(B[6]N[5a,6]2C)(H)3	H(CB[6]HH)	H(CB[6]HH)	109.4689	0.086	15	109.4689	0.007	15	109.2526	5.018	50	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(B[6]N[5a,6]2F)(H)3	H(CB[6]HH)	H(CB[6]HH)	C(B[6]N[5a,6]2F)(H)3	H(CB[6]HH)	H(CB[6]HH)	109.4880	0.088	2	109.4880	0.008	2	109.2526	5.018	50	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B[6a]-4:H-1:H-1:H-1:	C-4:	C-4:	C(B[6a]C[5,6a]2C[6a])(H)3	H(CB[6a]HH)	H(CB[6a]HH)	C(B[6a]C[5,6a]2C[6a])(H)3	H(CB[6a]HH)	H(CB[6a]HH)	109.4855	0.041	4	109.4855	0.002	4	109.4883	0.002	9	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	B[6a]-4:H-1:H-1:H-1:	C-4:	C-4:	C(B[6a]N[6a]2Mn)(H)3	H(CB[6a]HH)	H(CB[6a]HH)	C(B[6a]N[6a]2Mn)(H)3	H(CB[6a]HH)	H(CB[6a]HH)	109.4906	0.045	5	109.4906	0.002	5	109.4883	0.002	9	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Br-1:H-1:H-1:	C-4:	C-4:	C(CBrCH)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CBrCH)(Br)(H)2	H(CBrCH)	H(CBrCH)	107.9760	0.270	4	107.9760	0.073	4	108.0949	1.509	201	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Br-1:H-1:H-1:	C-4:	C-4:	C(CC3)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CC3)(Br)(H)2	H(CBrCH)	H(CBrCH)	107.5494	0.176	13	107.5494	0.031	13	108.0949	1.509	201	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Br-1:H-1:H-1:	C-4:	C-4:	C(CCCO)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CCCO)(Br)(H)2	H(CBrCH)	H(CBrCH)	107.6863	0.100	3	107.6863	0.010	3	108.0949	1.509	201	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Br-1:H-1:H-1:	C-4:	C-4:	C(CCFF)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CCFF)(Br)(H)2	H(CBrCH)	H(CBrCH)	107.9100	0.000	1	107.9100	0.000	1	108.0949	1.509	201	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Br-1:H-1:H-1:	C-4:	C-4:	C(CCHH)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CCHH)(Br)(H)2	H(CBrCH)	H(CBrCH)	107.9247	0.278	72	107.9247	0.077	72	108.0949	1.509	201	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Br-1:H-1:H-1:	C-4:	C-4:	C(CCHN)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CCHN)(Br)(H)2	H(CBrCH)	H(CBrCH)	108.0344	0.102	5	108.0344	0.010	5	108.0949	1.509	201	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Br-1:H-1:H-1:	C-4:	C-4:	C(CCHO)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CCHO)(Br)(H)2	H(CBrCH)	H(CBrCH)	109.4074	3.664	7	109.4074	13.423	7	108.0949	1.509	201	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Br-1:H-1:H-1:	C-4:	C-4:	C(CC[3,5,6]HH)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CC[3,5,6]HH)(Br)(H)2	H(CBrCH)	H(CBrCH)	107.8434	0.060	5	107.8434	0.004	5	108.0949	1.509	201	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Br-1:H-1:H-1:	C-4:	C-4:	C(CC[5,5]HH)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CC[5,5]HH)(Br)(H)2	H(CBrCH)	H(CBrCH)	107.9390	0.113	3	107.9390	0.013	3	108.0949	1.509	201	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Br-1:H-1:H-1:	C-4:	C-4:	C(CC[5]BrC)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CC[5]BrC)(Br)(H)2	H(CBrCH)	H(CBrCH)	107.5070	0.000	1	107.5070	0.000	1	108.0949	1.509	201	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Br-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]O)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CC[5a]C[6a]O)(Br)(H)2	H(CBrCH)	H(CBrCH)	107.8110	0.000	1	107.8110	0.000	1	108.0949	1.509	201	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Br-1:H-1:H-1:	C-4:	C-4:	C(CC[6]BrH)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CC[6]BrH)(Br)(H)2	H(CBrCH)	H(CBrCH)	108.0400	0.000	1	108.0400	0.000	1	108.0949	1.509	201	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Br-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]Br2)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CC[6a]Br2)(Br)(H)2	H(CBrCH)	H(CBrCH)	108.0200	0.000	1	108.0200	0.000	1	108.0949	1.509	201	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Br-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CC[6a]CC)(Br)(H)2	H(CBrCH)	H(CBrCH)	107.8065	0.206	2	107.8065	0.042	2	108.0949	1.509	201	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Br-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CC[6a]CO)(Br)(H)2	H(CBrCH)	H(CBrCH)	107.9048	0.118	6	107.9048	0.014	6	108.0949	1.509	201	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Br-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CC[6a]HN)(Br)(H)2	H(CBrCH)	H(CBrCH)	108.0437	0.158	3	108.0437	0.025	3	108.0949	1.509	201	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Br-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CC[6a]HO)(Br)(H)2	H(CBrCH)	H(CBrCH)	107.9580	0.000	1	107.9580	0.000	1	108.0949	1.509	201	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Br-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[5]H)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CC[6a]N[5]H)(Br)(H)2	H(CBrCH)	H(CBrCH)	107.9610	0.000	1	107.9610	0.000	1	108.0949	1.509	201	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Br-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]OO)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CC[6a]OO)(Br)(H)2	H(CBrCH)	H(CBrCH)	107.9220	0.000	1	107.9220	0.000	1	108.0949	1.509	201	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Br-1:H-1:H-1:	C-4:	C-4:	C(CClCC)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CClCC)(Br)(H)2	H(CBrCH)	H(CBrCH)	108.0115	0.054	2	108.0115	0.003	2	108.0949	1.509	201	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Br-1:H-1:H-1:	C-4:	C-4:	C(CHHN)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CHHN)(Br)(H)2	H(CBrCH)	H(CBrCH)	108.1380	0.641	20	108.1380	0.411	20	108.0949	1.509	201	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Br-1:H-1:H-1:	C-4:	C-4:	C(CHHO)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CHHO)(Br)(H)2	H(CBrCH)	H(CBrCH)	108.4753	2.831	22	108.4753	8.013	22	108.0949	1.509	201	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Br-1:H-1:H-1:	C-4:	C-4:	C(CHHS)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CHHS)(Br)(H)2	H(CBrCH)	H(CBrCH)	108.9717	1.580	3	108.9717	2.496	3	108.0949	1.509	201	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Br-1:H-1:H-1:	C-4:	C-4:	C(CN[3x6]HH)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CN[3x6]HH)(Br)(H)2	H(CBrCH)	H(CBrCH)	108.5622	0.043	5	108.5622	0.002	5	108.0949	1.509	201	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Br-1:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CN[5]HH)(Br)(H)2	H(CBrCH)	H(CBrCH)	108.3281	0.826	8	108.3281	0.683	8	108.0949	1.509	201	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Br-1:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CN[5a]HH)(Br)(H)2	H(CBrCH)	H(CBrCH)	107.9618	0.241	5	107.9618	0.058	5	108.0949	1.509	201	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Br-1:H-1:H-1:	C-4:	C-4:	C(CPdCC)(Br)(H)2	H(CBrCH)	H(CBrCH)	C(CPdCC)(Br)(H)2	H(CBrCH)	H(CBrCH)	108.5260	0.469	5	108.5260	0.220	5	108.0949	1.509	201	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:C-1:H-1:H-1:	C-4:	C-4:	C(CCHH)(C)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(C)(H)2	H(CCCH)	H(CCCH)	108.5100	1.218	4	108.5100	1.485	4	108.5100	1.485	4	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CBrCH)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CBrCH)(Cl)(H)2	H(CClCH)	H(CClCH)	107.9300	0.000	1	107.9300	0.000	1	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC3)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CC3)(Cl)(H)2	H(CClCH)	H(CClCH)	108.0530	0.518	6	108.0530	0.268	6	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CCCH)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CCCH)(Cl)(H)2	H(CClCH)	H(CClCH)	109.3567	3.460	6	109.3567	11.970	6	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CCCN)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CCCN)(Cl)(H)2	H(CClCH)	H(CClCH)	107.7100	0.040	2	107.7100	0.002	2	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CCCO)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CCCO)(Cl)(H)2	H(CClCH)	H(CClCH)	110.9270	0.000	1	110.9270	0.000	1	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CCHH)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CCHH)(Cl)(H)2	H(CClCH)	H(CClCH)	108.0418	0.611	88	108.0418	0.373	88	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CCHN)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CCHN)(Cl)(H)2	H(CClCH)	H(CClCH)	108.0563	1.827	6	108.0563	3.339	6	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CCHO)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CCHO)(Cl)(H)2	H(CClCH)	H(CClCH)	108.8196	2.126	33	108.8196	4.520	33	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[4]HH)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CC[4]HH)(Cl)(H)2	H(CClCH)	H(CClCH)	107.9865	0.015	2	107.9865	0.000	2	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[5,6,6]HH)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CC[5,6,6]HH)(Cl)(H)2	H(CClCH)	H(CClCH)	108.3510	0.000	1	108.3510	0.000	1	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[5]CO)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CC[5]CO)(Cl)(H)2	H(CClCH)	H(CClCH)	108.1405	0.142	2	108.1405	0.020	2	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CC[5]HH)(Cl)(H)2	H(CClCH)	H(CClCH)	108.0280	0.000	1	108.0280	0.000	1	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[5]HO)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CC[5]HO)(Cl)(H)2	H(CClCH)	H(CClCH)	107.9580	0.000	1	107.9580	0.000	1	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CC[6]HH)(Cl)(H)2	H(CClCH)	H(CClCH)	107.9828	0.098	6	107.9828	0.010	6	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[6]HO)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CC[6]HO)(Cl)(H)2	H(CClCH)	H(CClCH)	116.0570	0.000	1	116.0570	0.000	1	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CC[6a]CC)(Cl)(H)2	H(CClCH)	H(CClCH)	107.8440	0.000	1	107.8440	0.000	1	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CC[6a]HH)(Cl)(H)2	H(CClCH)	H(CClCH)	107.9767	0.171	9	107.9767	0.029	9	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CC[6a]HN)(Cl)(H)2	H(CClCH)	H(CClCH)	107.9750	0.136	2	107.9750	0.018	2	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CCl2H)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CCl2H)(Cl)(H)2	H(CClCH)	H(CClCH)	107.5296	0.825	9	107.5296	0.680	9	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CCl3)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CCl3)(Cl)(H)2	H(CClCH)	H(CClCH)	107.8940	0.122	3	107.8940	0.015	3	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CClCH)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CClCH)(Cl)(H)2	H(CClCH)	H(CClCH)	108.6927	4.673	7	108.6927	21.840	7	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CClHH)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CClHH)(Cl)(H)2	H(CClCH)	H(CClCH)	108.0794	0.741	304	108.0794	0.550	304	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CH3)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CH3)(Cl)(H)2	H(CClCH)	H(CClCH)	110.8096	2.353	5	110.8096	5.536	5	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CHHN)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CHHN)(Cl)(H)2	H(CClCH)	H(CClCH)	108.1547	0.668	59	108.1547	0.446	59	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CHHO)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CHHO)(Cl)(H)2	H(CClCH)	H(CClCH)	108.2182	0.891	33	108.2182	0.794	33	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CHHS)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CHHS)(Cl)(H)2	H(CClCH)	H(CClCH)	108.9990	0.822	3	108.9990	0.676	3	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CN[5]HH)(Cl)(H)2	H(CClCH)	H(CClCH)	104.9634	5.201	3	104.9634	27.051	3	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CN[5a]CH)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CN[5a]CH)(Cl)(H)2	H(CClCH)	H(CClCH)	108.1420	0.000	1	108.1420	0.000	1	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CN[5a]HH)(Cl)(H)2	H(CClCH)	H(CClCH)	108.2557	0.588	6	108.2557	0.345	6	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CN[6]CH)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CN[6]CH)(Cl)(H)2	H(CClCH)	H(CClCH)	109.1500	0.000	1	109.1500	0.000	1	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CN[6]HH)(Cl)(H)2	H(CClCH)	H(CClCH)	106.8489	3.667	10	106.8489	13.447	10	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CN[6a]HH)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CN[6a]HH)(Cl)(H)2	H(CClCH)	H(CClCH)	108.9207	3.579	6	108.9207	12.806	6	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CPdCC)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CPdCC)(Cl)(H)2	H(CClCH)	H(CClCH)	108.1860	0.099	2	108.1860	0.010	2	108.1543	1.721	621	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:F-1:H-1:H-1:	C-4:	C-4:	C(CCCH)(F)(H)2	H(CCFH)	H(CCFH)	C(CCCH)(F)(H)2	H(CCFH)	H(CCFH)	108.1310	0.000	1	108.1310	0.000	1	108.3487	0.779	50	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:F-1:H-1:H-1:	C-4:	C-4:	C(CCHH)(F)(H)2	H(CCFH)	H(CCFH)	C(CCHH)(F)(H)2	H(CCFH)	H(CCFH)	108.9814	1.635	5	108.9814	2.673	5	108.3487	0.779	50	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:F-1:H-1:H-1:	C-4:	C-4:	C(CCHN)(F)(H)2	H(CCFH)	H(CCFH)	C(CCHN)(F)(H)2	H(CCFH)	H(CCFH)	108.4000	0.092	2	108.4000	0.008	2	108.3487	0.779	50	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:F-1:H-1:H-1:	C-4:	C-4:	C(CCHO)(F)(H)2	H(CCFH)	H(CCFH)	C(CCHO)(F)(H)2	H(CCFH)	H(CCFH)	108.5981	0.850	8	108.5981	0.722	8	108.3487	0.779	50	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:F-1:H-1:H-1:	C-4:	C-4:	C(CCOO)(F)(H)2	H(CCFH)	H(CCFH)	C(CCOO)(F)(H)2	H(CCFH)	H(CCFH)	108.0940	0.000	1	108.0940	0.000	1	108.3487	0.779	50	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:F-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]2N[5a])(F)(H)2	H(CCFH)	H(CCFH)	C(CC[6a]2N[5a])(F)(H)2	H(CCFH)	H(CCFH)	108.3590	0.084	5	108.3590	0.007	5	108.3487	0.779	50	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:F-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(F)(H)2	H(CCFH)	H(CCFH)	C(CC[6a]CO)(F)(H)2	H(CCFH)	H(CCFH)	108.2265	0.050	2	108.2265	0.003	2	108.3487	0.779	50	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:F-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(F)(H)2	H(CCFH)	H(CCFH)	C(CC[6a]HN)(F)(H)2	H(CCFH)	H(CCFH)	108.1770	0.000	1	108.1770	0.000	1	108.3487	0.779	50	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:F-1:H-1:H-1:	C-4:	C-4:	C(CHHN)(F)(H)2	H(CCFH)	H(CCFH)	C(CHHN)(F)(H)2	H(CCFH)	H(CCFH)	108.3915	0.940	14	108.3915	0.883	14	108.3487	0.779	50	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:F-1:H-1:H-1:	C-4:	C-4:	C(CHHO)(F)(H)2	H(CCFH)	H(CCFH)	C(CHHO)(F)(H)2	H(CCFH)	H(CCFH)	107.7090	1.037	6	107.7090	1.075	6	108.3487	0.779	50	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:F-1:H-1:H-1:	C-4:	C-4:	C(CHHS)(F)(H)2	H(CCFH)	H(CCFH)	C(CHHS)(F)(H)2	H(CCFH)	H(CCFH)	108.2100	0.000	1	108.2100	0.000	1	108.3487	0.779	50	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:F-1:H-1:H-1:	C-4:	C-4:	C(CN[3x6]HH)(F)(H)2	H(CCFH)	H(CCFH)	C(CN[3x6]HH)(F)(H)2	H(CCFH)	H(CCFH)	107.8850	0.000	1	107.8850	0.000	1	108.3487	0.779	50	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:F-1:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(F)(H)2	H(CCFH)	H(CCFH)	C(CN[6]HH)(F)(H)2	H(CCFH)	H(CCFH)	108.0780	0.037	2	108.0780	0.001	2	108.3487	0.779	50	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:F-1:H-1:H-1:	C-4:	C-4:	C(CN[6a]HH)(F)(H)2	H(CCFH)	H(CCFH)	C(CN[6a]HH)(F)(H)2	H(CCFH)	H(CCFH)	108.3070	0.000	1	108.3070	0.000	1	108.3487	0.779	50	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CAgOO)(H)3	H(CCHH)	H(CCHH)	C(CAgOO)(H)3	H(CCHH)	H(CCHH)	109.4950	0.024	3	109.4950	0.001	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CAlCC)(H)3	H(CCHH)	H(CCHH)	C(CAlCC)(H)3	H(CCHH)	H(CCHH)	108.5301	1.699	267	108.5301	2.885	267	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CAlCH)(H)3	H(CCHH)	H(CCHH)	C(CAlCH)(H)3	H(CCHH)	H(CCHH)	109.4782	0.049	6	109.4782	0.002	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CAlCO)(H)3	H(CCHH)	H(CCHH)	C(CAlCO)(H)3	H(CCHH)	H(CCHH)	109.4715	0.008	2	109.4715	0.000	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CAlHH)(H)3	H(CCHH)	H(CCHH)	C(CAlHH)(H)3	H(CCHH)	H(CCHH)	109.4730	0.746	356	109.4730	0.557	356	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CAlNN)(H)3	H(CCHH)	H(CCHH)	C(CAlNN)(H)3	H(CCHH)	H(CCHH)	109.4710	0.062	32	109.4710	0.004	32	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CAsCC)(H)3	H(CCHH)	H(CCHH)	C(CAsCC)(H)3	H(CCHH)	H(CCHH)	109.4598	0.074	109	109.4598	0.005	109	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CAsCH)(H)3	H(CCHH)	H(CCHH)	C(CAsCH)(H)3	H(CCHH)	H(CCHH)	109.4618	0.107	6	109.4618	0.011	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CAsHH)(H)3	H(CCHH)	H(CCHH)	C(CAsHH)(H)3	H(CCHH)	H(CCHH)	109.4862	0.063	61	109.4862	0.004	61	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CAs[4]CC)(H)3	H(CCHH)	H(CCHH)	C(CAs[4]CC)(H)3	H(CCHH)	H(CCHH)	109.4635	0.054	11	109.4635	0.003	11	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CAs[5,5]CC)(H)3	H(CCHH)	H(CCHH)	C(CAs[5,5]CC)(H)3	H(CCHH)	H(CCHH)	109.4749	0.065	14	109.4749	0.004	14	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CAuCC)(H)3	H(CCHH)	H(CCHH)	C(CAuCC)(H)3	H(CCHH)	H(CCHH)	109.4716	0.068	13	109.4716	0.005	13	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CBCC)(H)3	H(CCHH)	H(CCHH)	C(CBCC)(H)3	H(CCHH)	H(CCHH)	109.4719	0.044	84	109.4719	0.002	84	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CBCH)(H)3	H(CCHH)	H(CCHH)	C(CBCH)(H)3	H(CCHH)	H(CCHH)	109.3160	0.916	16	109.3160	0.839	16	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CBCP)(H)3	H(CCHH)	H(CCHH)	C(CBCP)(H)3	H(CCHH)	H(CCHH)	109.4744	0.027	10	109.4744	0.001	10	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CBHH)(H)3	H(CCHH)	H(CCHH)	C(CBHH)(H)3	H(CCHH)	H(CCHH)	109.0699	1.512	163	109.0699	2.285	163	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CBHP)(H)3	H(CCHH)	H(CCHH)	C(CBHP)(H)3	H(CCHH)	H(CCHH)	109.4880	0.025	3	109.4880	0.001	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CB[3]CC)(H)3	H(CCHH)	H(CCHH)	C(CB[3]CC)(H)3	H(CCHH)	H(CCHH)	109.4712	0.028	12	109.4712	0.001	12	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CB[3]RuC)(H)3	H(CCHH)	H(CCHH)	C(CB[3]RuC)(H)3	H(CCHH)	H(CCHH)	110.1050	6.119	3	110.1050	37.436	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CB[3x4]CC)(H)3	H(CCHH)	H(CCHH)	C(CB[3x4]CC)(H)3	H(CCHH)	H(CCHH)	109.4751	0.042	9	109.4751	0.002	9	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CB[4]CC)(H)3	H(CCHH)	H(CCHH)	C(CB[4]CC)(H)3	H(CCHH)	H(CCHH)	109.4771	0.039	59	109.4771	0.002	59	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CB[5]CC)(H)3	H(CCHH)	H(CCHH)	C(CB[5]CC)(H)3	H(CCHH)	H(CCHH)	109.4753	0.046	7	109.4753	0.002	7	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CB[5]CH)(H)3	H(CCHH)	H(CCHH)	C(CB[5]CH)(H)3	H(CCHH)	H(CCHH)	109.4697	0.075	3	109.4697	0.006	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CB[5]C[5]H)(H)3	H(CCHH)	H(CCHH)	C(CB[5]C[5]H)(H)3	H(CCHH)	H(CCHH)	109.4802	0.047	4	109.4802	0.002	4	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CB[5]HH)(H)3	H(CCHH)	H(CCHH)	C(CB[5]HH)(H)3	H(CCHH)	H(CCHH)	109.4930	0.040	7	109.4930	0.002	7	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CB[5a]CC)(H)3	H(CCHH)	H(CCHH)	C(CB[5a]CC)(H)3	H(CCHH)	H(CCHH)	109.4636	0.045	8	109.4636	0.002	8	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CB[5a]HH)(H)3	H(CCHH)	H(CCHH)	C(CB[5a]HH)(H)3	H(CCHH)	H(CCHH)	109.4677	0.055	24	109.4677	0.003	24	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CB[5x3,5x5,14x6]CC)(H)3	H(CCHH)	H(CCHH)	C(CB[5x3,5x5,14x6]CC)(H)3	H(CCHH)	H(CCHH)	109.4588	0.034	5	109.4588	0.001	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CB[5x3,5x5,20x6]CH)(H)3	H(CCHH)	H(CCHH)	C(CB[5x3,5x5,20x6]CH)(H)3	H(CCHH)	H(CCHH)	109.4823	0.092	7	109.4823	0.008	7	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CB[6]CC)(H)3	H(CCHH)	H(CCHH)	C(CB[6]CC)(H)3	H(CCHH)	H(CCHH)	109.4693	0.041	8	109.4693	0.002	8	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CB[6]HH)(H)3	H(CCHH)	H(CCHH)	C(CB[6]HH)(H)3	H(CCHH)	H(CCHH)	109.4717	0.038	66	109.4717	0.001	66	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CB[6a]CC)(H)3	H(CCHH)	H(CCHH)	C(CB[6a]CC)(H)3	H(CCHH)	H(CCHH)	109.4638	0.043	25	109.4638	0.002	25	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CB[6a]HH)(H)3	H(CCHH)	H(CCHH)	C(CB[6a]HH)(H)3	H(CCHH)	H(CCHH)	109.4641	0.055	19	109.4641	0.003	19	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CBaOO)(H)3	H(CCHH)	H(CCHH)	C(CBaOO)(H)3	H(CCHH)	H(CCHH)	109.4677	0.063	3	109.4677	0.004	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CBeHH)(H)3	H(CCHH)	H(CCHH)	C(CBeHH)(H)3	H(CCHH)	H(CCHH)	109.4684	0.060	18	109.4684	0.004	18	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CBeHN)(H)3	H(CCHH)	H(CCHH)	C(CBeHN)(H)3	H(CCHH)	H(CCHH)	109.4693	0.073	3	109.4693	0.005	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CBiCC)(H)3	H(CCHH)	H(CCHH)	C(CBiCC)(H)3	H(CCHH)	H(CCHH)	109.4774	0.088	18	109.4774	0.008	18	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CBiCH)(H)3	H(CCHH)	H(CCHH)	C(CBiCH)(H)3	H(CCHH)	H(CCHH)	109.4650	0.035	6	109.4650	0.001	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CBiHH)(H)3	H(CCHH)	H(CCHH)	C(CBiHH)(H)3	H(CCHH)	H(CCHH)	109.4758	0.049	13	109.4758	0.002	13	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CBrCC)(H)3	H(CCHH)	H(CCHH)	C(CBrCC)(H)3	H(CCHH)	H(CCHH)	109.4991	1.478	99	109.4991	2.186	99	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CBrCH)(H)3	H(CCHH)	H(CCHH)	C(CBrCH)(H)3	H(CCHH)	H(CCHH)	109.4673	0.061	34	109.4673	0.004	34	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CBrCS)(H)3	H(CCHH)	H(CCHH)	C(CBrCS)(H)3	H(CCHH)	H(CCHH)	109.4626	0.065	5	109.4626	0.004	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC3)(H)3	H(CCHH)	H(CCHH)	C(CC3)(H)3	H(CCHH)	H(CCHH)	109.3715	1.363	14981	109.3715	1.859	14981	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCCF)(H)3	H(CCHH)	H(CCHH)	C(CCCF)(H)3	H(CCHH)	H(CCHH)	109.0205	1.374	27	109.0205	1.888	27	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCCH)(H)3	H(CCHH)	H(CCHH)	C(CCCH)(H)3	H(CCHH)	H(CCHH)	109.3904	1.080	12453	109.3904	1.167	12453	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCCN)(H)3	H(CCHH)	H(CCHH)	C(CCCN)(H)3	H(CCHH)	H(CCHH)	109.3808	1.244	15091	109.3808	1.547	15091	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCCO)(H)3	H(CCHH)	H(CCHH)	C(CCCO)(H)3	H(CCHH)	H(CCHH)	109.4232	1.386	19405	109.4232	1.920	19405	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCCP)(H)3	H(CCHH)	H(CCHH)	C(CCCP)(H)3	H(CCHH)	H(CCHH)	109.4230	0.730	17563	109.4230	0.533	17563	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCCS)(H)3	H(CCHH)	H(CCHH)	C(CCCS)(H)3	H(CCHH)	H(CCHH)	109.3899	1.573	4160	109.3899	2.475	4160	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCCU)(H)3	H(CCHH)	H(CCHH)	C(CCCU)(H)3	H(CCHH)	H(CCHH)	108.5907	1.759	12	108.5907	3.096	12	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCCV)(H)3	H(CCHH)	H(CCHH)	C(CCCV)(H)3	H(CCHH)	H(CCHH)	109.4766	0.067	10	109.4766	0.004	10	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCCW)(H)3	H(CCHH)	H(CCHH)	C(CCCW)(H)3	H(CCHH)	H(CCHH)	109.1009	4.544	15	109.1009	20.649	15	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCCY)(H)3	H(CCHH)	H(CCHH)	C(CCCY)(H)3	H(CCHH)	H(CCHH)	109.4880	0.022	3	109.4880	0.000	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCFH)(H)3	H(CCHH)	H(CCHH)	C(CCFH)(H)3	H(CCHH)	H(CCHH)	109.3879	0.425	35	109.3879	0.181	35	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCHH)(H)3	H(CCHH)	H(CCHH)	C(CCHH)(H)3	H(CCHH)	H(CCHH)	109.3807	1.190	35563	109.3807	1.415	35563	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCHI)(H)3	H(CCHH)	H(CCHH)	C(CCHI)(H)3	H(CCHH)	H(CCHH)	109.4880	0.037	7	109.4880	0.001	7	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCHN)(H)3	H(CCHH)	H(CCHH)	C(CCHN)(H)3	H(CCHH)	H(CCHH)	109.3655	1.264	14467	109.3655	1.599	14467	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCHO)(H)3	H(CCHH)	H(CCHH)	C(CCHO)(H)3	H(CCHH)	H(CCHH)	109.4248	1.020	5922	109.4248	1.041	5922	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCHP)(H)3	H(CCHH)	H(CCHH)	C(CCHP)(H)3	H(CCHH)	H(CCHH)	109.3254	1.136	22838	109.3254	1.290	22838	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCHS)(H)3	H(CCHH)	H(CCHH)	C(CCHS)(H)3	H(CCHH)	H(CCHH)	109.4474	0.339	764	109.4474	0.115	764	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCHW)(H)3	H(CCHH)	H(CCHH)	C(CCHW)(H)3	H(CCHH)	H(CCHH)	109.4694	0.089	10	109.4694	0.008	10	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCNN)(H)3	H(CCHH)	H(CCHH)	C(CCNN)(H)3	H(CCHH)	H(CCHH)	109.5078	0.908	20	109.5078	0.824	20	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCNO)(H)3	H(CCHH)	H(CCHH)	C(CCNO)(H)3	H(CCHH)	H(CCHH)	109.4694	0.033	5	109.4694	0.001	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCNP)(H)3	H(CCHH)	H(CCHH)	C(CCNP)(H)3	H(CCHH)	H(CCHH)	109.4335	1.843	40	109.4335	3.398	40	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCNS)(H)3	H(CCHH)	H(CCHH)	C(CCNS)(H)3	H(CCHH)	H(CCHH)	109.4693	0.053	3	109.4693	0.003	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCNU)(H)3	H(CCHH)	H(CCHH)	C(CCNU)(H)3	H(CCHH)	H(CCHH)	109.4738	0.085	24	109.4738	0.007	24	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCNV)(H)3	H(CCHH)	H(CCHH)	C(CCNV)(H)3	H(CCHH)	H(CCHH)	109.0834	1.556	18	109.0834	2.420	18	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCNY)(H)3	H(CCHH)	H(CCHH)	C(CCNY)(H)3	H(CCHH)	H(CCHH)	109.4506	0.047	7	109.4506	0.002	7	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCOO)(H)3	H(CCHH)	H(CCHH)	C(CCOO)(H)3	H(CCHH)	H(CCHH)	109.3872	2.222	80	109.3872	4.936	80	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCOP)(H)3	H(CCHH)	H(CCHH)	C(CCOP)(H)3	H(CCHH)	H(CCHH)	109.3647	0.718	85	109.3647	0.515	85	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCOW)(H)3	H(CCHH)	H(CCHH)	C(CCOW)(H)3	H(CCHH)	H(CCHH)	109.4582	0.059	5	109.4582	0.003	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCPP)(H)3	H(CCHH)	H(CCHH)	C(CCPP)(H)3	H(CCHH)	H(CCHH)	109.4718	0.023	5	109.4718	0.001	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCPS)(H)3	H(CCHH)	H(CCHH)	C(CCPS)(H)3	H(CCHH)	H(CCHH)	109.4670	0.033	5	109.4670	0.001	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCSS)(H)3	H(CCHH)	H(CCHH)	C(CCSS)(H)3	H(CCHH)	H(CCHH)	109.4857	0.023	3	109.4857	0.001	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3,3,5]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[3,3,5]CC)(H)3	H(CCHH)	H(CCHH)	109.4766	0.052	31	109.4766	0.003	31	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3,3,5]CH)(H)3	H(CCHH)	H(CCHH)	C(CC[3,3,5]CH)(H)3	H(CCHH)	H(CCHH)	109.4730	0.070	3	109.4730	0.005	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3,3,5]HH)(H)3	H(CCHH)	H(CCHH)	C(CC[3,3,5]HH)(H)3	H(CCHH)	H(CCHH)	107.6523	4.248	12	107.6523	18.050	12	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3,3,6]HH)(H)3	H(CCHH)	H(CCHH)	C(CC[3,3,6]HH)(H)3	H(CCHH)	H(CCHH)	109.4885	0.040	2	109.4885	0.002	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3,3]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[3,3]CC)(H)3	H(CCHH)	H(CCHH)	109.4883	0.056	12	109.4883	0.003	12	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3,3]HH)(H)3	H(CCHH)	H(CCHH)	C(CC[3,3]HH)(H)3	H(CCHH)	H(CCHH)	109.4802	0.058	5	109.4802	0.003	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3,3x5]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[3,3x5]CC)(H)3	H(CCHH)	H(CCHH)	109.4523	0.044	11	109.4523	0.002	11	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3,4,4]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[3,4,4]CC)(H)3	H(CCHH)	H(CCHH)	109.4705	0.048	8	109.4705	0.002	8	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3,4,5,6]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[3,4,5,6]CC)(H)3	H(CCHH)	H(CCHH)	109.4550	0.047	8	109.4550	0.002	8	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3,4,6,6]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[3,4,6,6]CC)(H)3	H(CCHH)	H(CCHH)	109.4680	0.074	3	109.4680	0.006	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3,5,5,6]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[3,5,5,6]CC)(H)3	H(CCHH)	H(CCHH)	109.4872	0.037	6	109.4872	0.001	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3,5,6,6]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[3,5,6,6]CC)(H)3	H(CCHH)	H(CCHH)	109.4641	0.045	7	109.4641	0.002	7	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3,5,6]HH)(H)3	H(CCHH)	H(CCHH)	C(CC[3,5,6]HH)(H)3	H(CCHH)	H(CCHH)	109.4693	0.033	3	109.4693	0.001	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3,5]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[3,5]CC)(H)3	H(CCHH)	H(CCHH)	109.4690	0.063	33	109.4690	0.004	33	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3,5]CH)(H)3	H(CCHH)	H(CCHH)	C(CC[3,5]CH)(H)3	H(CCHH)	H(CCHH)	109.4658	0.051	54	109.4658	0.003	54	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3,5]C[6]H)(H)3	H(CCHH)	H(CCHH)	C(CC[3,5]C[6]H)(H)3	H(CCHH)	H(CCHH)	109.4240	0.014	2	109.4240	0.000	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3,5]HH)(H)3	H(CCHH)	H(CCHH)	C(CC[3,5]HH)(H)3	H(CCHH)	H(CCHH)	109.4650	0.026	4	109.4650	0.001	4	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3,6]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[3,6]CC)(H)3	H(CCHH)	H(CCHH)	109.5045	0.507	12	109.5045	0.257	12	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3,6]CH)(H)3	H(CCHH)	H(CCHH)	C(CC[3,6]CH)(H)3	H(CCHH)	H(CCHH)	109.4684	0.049	22	109.4684	0.002	22	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3,6]HH)(H)3	H(CCHH)	H(CCHH)	C(CC[3,6]HH)(H)3	H(CCHH)	H(CCHH)	107.8906	1.672	5	107.8906	2.795	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[3]CC)(H)3	H(CCHH)	H(CCHH)	109.4169	1.196	116	109.4169	1.430	116	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3]CH)(H)3	H(CCHH)	H(CCHH)	C(CC[3]CH)(H)3	H(CCHH)	H(CCHH)	109.3725	1.215	111	109.3725	1.476	111	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3]CO)(H)3	H(CCHH)	H(CCHH)	C(CC[3]CO)(H)3	H(CCHH)	H(CCHH)	109.4713	0.052	23	109.4713	0.003	23	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3]C[5]H)(H)3	H(CCHH)	H(CCHH)	C(CC[3]C[5]H)(H)3	H(CCHH)	H(CCHH)	109.4527	0.022	7	109.4527	0.001	7	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3]C[6]O)(H)3	H(CCHH)	H(CCHH)	C(CC[3]C[6]O)(H)3	H(CCHH)	H(CCHH)	109.4869	0.048	7	109.4869	0.002	7	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3]HH)(H)3	H(CCHH)	H(CCHH)	C(CC[3]HH)(H)3	H(CCHH)	H(CCHH)	109.3795	1.247	73	109.3795	1.556	73	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3]HN)(H)3	H(CCHH)	H(CCHH)	C(CC[3]HN)(H)3	H(CCHH)	H(CCHH)	109.4855	0.047	4	109.4855	0.002	4	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3]HO)(H)3	H(CCHH)	H(CCHH)	C(CC[3]HO)(H)3	H(CCHH)	H(CCHH)	109.3430	0.942	29	109.3430	0.887	29	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3a]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[3a]CC)(H)3	H(CCHH)	H(CCHH)	109.1869	3.785	94	109.1869	14.325	94	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3a]HH)(H)3	H(CCHH)	H(CCHH)	C(CC[3a]HH)(H)3	H(CCHH)	H(CCHH)	109.4715	0.044	4	109.4715	0.002	4	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3x3,4,3x5,14x6]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[3x3,4,3x5,14x6]CC)(H)3	H(CCHH)	H(CCHH)	109.4636	0.063	18	109.4636	0.004	18	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3x3,4,3x5,14x6]CH)(H)3	H(CCHH)	H(CCHH)	C(CC[3x3,4,3x5,14x6]CH)(H)3	H(CCHH)	H(CCHH)	109.4744	0.054	10	109.4744	0.003	10	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3x3,4,3x5,14x6]C[4]C)(H)3	H(CCHH)	H(CCHH)	C(CC[3x3,4,3x5,14x6]C[4]C)(H)3	H(CCHH)	H(CCHH)	109.4744	0.052	7	109.4744	0.003	7	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	H(CCHH)	H(CCHH)	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	H(CCHH)	H(CCHH)	109.4729	0.060	108	109.4729	0.004	108	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3x4]Cl2)(H)3	H(CCHH)	H(CCHH)	C(CC[3x4]Cl2)(H)3	H(CCHH)	H(CCHH)	109.4420	0.078	2	109.4420	0.006	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3x5,6,6]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[3x5,6,6]CC)(H)3	H(CCHH)	H(CCHH)	109.4510	0.063	4	109.4510	0.004	4	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3x5,6]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[3x5,6]CC)(H)3	H(CCHH)	H(CCHH)	109.4363	0.039	3	109.4363	0.002	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3x5,6]CH)(H)3	H(CCHH)	H(CCHH)	C(CC[3x5,6]CH)(H)3	H(CCHH)	H(CCHH)	109.4605	0.030	6	109.4605	0.001	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3x6]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[3x6]CC)(H)3	H(CCHH)	H(CCHH)	109.4756	0.058	7	109.4756	0.003	7	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3x6]CH)(H)3	H(CCHH)	H(CCHH)	C(CC[3x6]CH)(H)3	H(CCHH)	H(CCHH)	109.2155	0.616	29	109.2155	0.379	29	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3x6]HH)(H)3	H(CCHH)	H(CCHH)	C(CC[3x6]HH)(H)3	H(CCHH)	H(CCHH)	109.1497	1.346	99	109.1497	1.812	99	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3x6]HN)(H)3	H(CCHH)	H(CCHH)	C(CC[3x6]HN)(H)3	H(CCHH)	H(CCHH)	109.3881	0.257	27	109.3881	0.066	27	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3x6]HO)(H)3	H(CCHH)	H(CCHH)	C(CC[3x6]HO)(H)3	H(CCHH)	H(CCHH)	109.4781	0.044	21	109.4781	0.002	21	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4,3x5,6]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[4,3x5,6]CC)(H)3	H(CCHH)	H(CCHH)	109.4843	0.054	3	109.4843	0.003	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4,3x5]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[4,3x5]CC)(H)3	H(CCHH)	H(CCHH)	109.4461	0.064	15	109.4461	0.004	15	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4,4,5,5]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[4,4,5,5]CC)(H)3	H(CCHH)	H(CCHH)	109.4726	0.090	5	109.4726	0.008	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4,4,5]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[4,4,5]CC)(H)3	H(CCHH)	H(CCHH)	109.4784	0.062	42	109.4784	0.004	42	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4,4]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[4,4]CC)(H)3	H(CCHH)	H(CCHH)	109.4725	0.048	14	109.4725	0.002	14	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4,5,5,3x6]CH)(H)3	H(CCHH)	H(CCHH)	C(CC[4,5,5,3x6]CH)(H)3	H(CCHH)	H(CCHH)	109.4893	0.065	3	109.4893	0.004	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4,5,5,6,6]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[4,5,5,6,6]CC)(H)3	H(CCHH)	H(CCHH)	109.4664	0.060	12	109.4664	0.004	12	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4,5,5,6]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[4,5,5,6]CC)(H)3	H(CCHH)	H(CCHH)	109.4762	0.070	33	109.4762	0.005	33	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4,5,5]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[4,5,5]CC)(H)3	H(CCHH)	H(CCHH)	109.4603	0.061	4	109.4603	0.004	4	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4,5,6,6]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[4,5,6,6]CC)(H)3	H(CCHH)	H(CCHH)	109.4900	0.096	22	109.4900	0.009	22	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4,5,6]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[4,5,6]CC)(H)3	H(CCHH)	H(CCHH)	109.4581	0.072	16	109.4581	0.005	16	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4,5]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[4,5]CC)(H)3	H(CCHH)	H(CCHH)	109.4046	3.401	75	109.4046	11.567	75	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4,5]CH)(H)3	H(CCHH)	H(CCHH)	C(CC[4,5]CH)(H)3	H(CCHH)	H(CCHH)	108.5148	1.246	9	108.5148	1.552	9	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4,5]HH)(H)3	H(CCHH)	H(CCHH)	C(CC[4,5]HH)(H)3	H(CCHH)	H(CCHH)	110.8492	3.675	6	110.8492	13.507	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4,6,6]HH)(H)3	H(CCHH)	H(CCHH)	C(CC[4,6,6]HH)(H)3	H(CCHH)	H(CCHH)	109.4650	0.032	3	109.4650	0.001	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4,6]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[4,6]CC)(H)3	H(CCHH)	H(CCHH)	109.4726	0.025	7	109.4726	0.001	7	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4,6]HH)(H)3	H(CCHH)	H(CCHH)	C(CC[4,6]HH)(H)3	H(CCHH)	H(CCHH)	109.4806	0.033	16	109.4806	0.001	16	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[4]CC)(H)3	H(CCHH)	H(CCHH)	109.3460	1.527	350	109.3460	2.332	350	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4]CH)(H)3	H(CCHH)	H(CCHH)	C(CC[4]CH)(H)3	H(CCHH)	H(CCHH)	109.4688	2.036	67	109.4688	4.146	67	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4]CN)(H)3	H(CCHH)	H(CCHH)	C(CC[4]CN)(H)3	H(CCHH)	H(CCHH)	109.4650	0.055	2	109.4650	0.003	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4]CO)(H)3	H(CCHH)	H(CCHH)	C(CC[4]CO)(H)3	H(CCHH)	H(CCHH)	109.1767	0.872	67	109.1767	0.760	67	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4]C[5]C)(H)3	H(CCHH)	H(CCHH)	C(CC[4]C[5]C)(H)3	H(CCHH)	H(CCHH)	109.8002	0.600	5	109.8002	0.360	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4]C[5]O)(H)3	H(CCHH)	H(CCHH)	C(CC[4]C[5]O)(H)3	H(CCHH)	H(CCHH)	109.5030	0.028	2	109.5030	0.001	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4]HH)(H)3	H(CCHH)	H(CCHH)	C(CC[4]HH)(H)3	H(CCHH)	H(CCHH)	109.4708	0.052	149	109.4708	0.003	149	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4]HN)(H)3	H(CCHH)	H(CCHH)	C(CC[4]HN)(H)3	H(CCHH)	H(CCHH)	110.2481	1.378	11	110.2481	1.898	11	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4]HO)(H)3	H(CCHH)	H(CCHH)	C(CC[4]HO)(H)3	H(CCHH)	H(CCHH)	109.4759	2.518	51	109.4759	6.338	51	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4]SiH)(H)3	H(CCHH)	H(CCHH)	C(CC[4]SiH)(H)3	H(CCHH)	H(CCHH)	108.0877	7.912	3	108.0877	62.604	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4x5]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[4x5]CC)(H)3	H(CCHH)	H(CCHH)	109.4790	0.054	3	109.4790	0.003	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[4x6]CH)(H)3	H(CCHH)	H(CCHH)	C(CC[4x6]CH)(H)3	H(CCHH)	H(CCHH)	109.4731	0.039	7	109.4731	0.002	7	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,3x6]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[5,3x6]CC)(H)3	H(CCHH)	H(CCHH)	109.4793	0.051	4	109.4793	0.003	4	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,3x6]CH)(H)3	H(CCHH)	H(CCHH)	C(CC[5,3x6]CH)(H)3	H(CCHH)	H(CCHH)	109.5450	0.007	2	109.5450	0.000	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,5,6,6]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[5,5,6,6]CC)(H)3	H(CCHH)	H(CCHH)	109.4585	0.097	11	109.4585	0.009	11	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,5,6]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[5,5,6]CC)(H)3	H(CCHH)	H(CCHH)	109.4659	0.055	32	109.4659	0.003	32	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,5,6]CH)(H)3	H(CCHH)	H(CCHH)	C(CC[5,5,6]CH)(H)3	H(CCHH)	H(CCHH)	109.4649	0.086	44	109.4649	0.007	44	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,5,6]CO)(H)3	H(CCHH)	H(CCHH)	C(CC[5,5,6]CO)(H)3	H(CCHH)	H(CCHH)	109.4758	0.042	12	109.4758	0.002	12	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,5,6]HH)(H)3	H(CCHH)	H(CCHH)	C(CC[5,5,6]HH)(H)3	H(CCHH)	H(CCHH)	108.7793	1.371	20	108.7793	1.880	20	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,5,6]HO)(H)3	H(CCHH)	H(CCHH)	C(CC[5,5,6]HO)(H)3	H(CCHH)	H(CCHH)	107.8523	4.705	3	107.8523	22.134	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,5]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[5,5]CC)(H)3	H(CCHH)	H(CCHH)	108.6481	2.826	97	108.6481	7.985	97	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,5]CH)(H)3	H(CCHH)	H(CCHH)	C(CC[5,5]CH)(H)3	H(CCHH)	H(CCHH)	109.4650	0.079	44	109.4650	0.006	44	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,5]CO)(H)3	H(CCHH)	H(CCHH)	C(CC[5,5]CO)(H)3	H(CCHH)	H(CCHH)	109.5385	0.009	2	109.5385	0.000	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,5]C[5]O)(H)3	H(CCHH)	H(CCHH)	C(CC[5,5]C[5]O)(H)3	H(CCHH)	H(CCHH)	109.5047	0.100	3	109.5047	0.010	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,5]HH)(H)3	H(CCHH)	H(CCHH)	C(CC[5,5]HH)(H)3	H(CCHH)	H(CCHH)	109.4735	0.056	38	109.4735	0.003	38	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,6,6]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[5,6,6]CC)(H)3	H(CCHH)	H(CCHH)	109.4577	0.092	13	109.4577	0.008	13	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,6,6]CH)(H)3	H(CCHH)	H(CCHH)	C(CC[5,6,6]CH)(H)3	H(CCHH)	H(CCHH)	109.4935	0.052	2	109.4935	0.003	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,6,6]HH)(H)3	H(CCHH)	H(CCHH)	C(CC[5,6,6]HH)(H)3	H(CCHH)	H(CCHH)	109.0997	1.747	34	109.0997	3.051	34	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,6]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[5,6]CC)(H)3	H(CCHH)	H(CCHH)	109.3702	1.793	86	109.3702	3.217	86	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,6]CH)(H)3	H(CCHH)	H(CCHH)	C(CC[5,6]CH)(H)3	H(CCHH)	H(CCHH)	109.3333	4.406	131	109.3333	19.409	131	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,6]CN)(H)3	H(CCHH)	H(CCHH)	C(CC[5,6]CN)(H)3	H(CCHH)	H(CCHH)	109.4883	0.068	3	109.4883	0.005	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,6]CO)(H)3	H(CCHH)	H(CCHH)	C(CC[5,6]CO)(H)3	H(CCHH)	H(CCHH)	109.4800	0.022	5	109.4800	0.000	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,6]C[5]C)(H)3	H(CCHH)	H(CCHH)	C(CC[5,6]C[5]C)(H)3	H(CCHH)	H(CCHH)	109.1278	0.681	14	109.1278	0.464	14	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,6]C[6a]O)(H)3	H(CCHH)	H(CCHH)	C(CC[5,6]C[6a]O)(H)3	H(CCHH)	H(CCHH)	109.4682	0.041	5	109.4682	0.002	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,6]HH)(H)3	H(CCHH)	H(CCHH)	C(CC[5,6]HH)(H)3	H(CCHH)	H(CCHH)	109.3215	1.191	79	109.3215	1.419	79	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5,6]HO)(H)3	H(CCHH)	H(CCHH)	C(CC[5,6]HO)(H)3	H(CCHH)	H(CCHH)	108.5998	2.188	10	108.5998	4.787	10	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]2C)(H)3	H(CCHH)	H(CCHH)	C(CC[5]2C)(H)3	H(CCHH)	H(CCHH)	109.2907	1.344	135	109.2907	1.806	135	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]2H)(H)3	H(CCHH)	H(CCHH)	C(CC[5]2H)(H)3	H(CCHH)	H(CCHH)	109.4662	0.052	6	109.4662	0.003	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]2O)(H)3	H(CCHH)	H(CCHH)	C(CC[5]2O)(H)3	H(CCHH)	H(CCHH)	106.2820	1.546	3	106.2820	2.390	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]3)(H)3	H(CCHH)	H(CCHH)	C(CC[5]3)(H)3	H(CCHH)	H(CCHH)	109.4896	0.061	8	109.4896	0.004	8	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]BrH)(H)3	H(CCHH)	H(CCHH)	C(CC[5]BrH)(H)3	H(CCHH)	H(CCHH)	109.4780	0.019	6	109.4780	0.000	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[5]CC)(H)3	H(CCHH)	H(CCHH)	109.3857	0.926	6523	109.3857	0.858	6523	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]CF)(H)3	H(CCHH)	H(CCHH)	C(CC[5]CF)(H)3	H(CCHH)	H(CCHH)	109.4688	0.016	4	109.4688	0.000	4	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(H)3	H(CCHH)	H(CCHH)	C(CC[5]CH)(H)3	H(CCHH)	H(CCHH)	109.3325	1.104	5274	109.3325	1.220	5274	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]CI)(H)3	H(CCHH)	H(CCHH)	C(CC[5]CI)(H)3	H(CCHH)	H(CCHH)	109.4683	0.052	15	109.4683	0.003	15	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]CN)(H)3	H(CCHH)	H(CCHH)	C(CC[5]CN)(H)3	H(CCHH)	H(CCHH)	109.3603	0.509	40	109.3603	0.259	40	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]CO)(H)3	H(CCHH)	H(CCHH)	C(CC[5]CO)(H)3	H(CCHH)	H(CCHH)	109.4468	1.237	531	109.4468	1.530	531	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]CP)(H)3	H(CCHH)	H(CCHH)	C(CC[5]CP)(H)3	H(CCHH)	H(CCHH)	109.4689	0.047	16	109.4689	0.002	16	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]CS)(H)3	H(CCHH)	H(CCHH)	C(CC[5]CS)(H)3	H(CCHH)	H(CCHH)	109.1347	2.857	27	109.1347	8.161	27	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]C[6]C)(H)3	H(CCHH)	H(CCHH)	C(CC[5]C[6]C)(H)3	H(CCHH)	H(CCHH)	109.4079	0.474	61	109.4079	0.224	61	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]C[6]H)(H)3	H(CCHH)	H(CCHH)	C(CC[5]C[6]H)(H)3	H(CCHH)	H(CCHH)	109.4981	0.796	23	109.4981	0.634	23	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]C[6]O)(H)3	H(CCHH)	H(CCHH)	C(CC[5]C[6]O)(H)3	H(CCHH)	H(CCHH)	109.4229	0.655	43	109.4229	0.429	43	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]ClC)(H)3	H(CCHH)	H(CCHH)	C(CC[5]ClC)(H)3	H(CCHH)	H(CCHH)	109.4822	0.056	5	109.4822	0.003	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]ClH)(H)3	H(CCHH)	H(CCHH)	C(CC[5]ClH)(H)3	H(CCHH)	H(CCHH)	109.4930	0.048	9	109.4930	0.002	9	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]FH)(H)3	H(CCHH)	H(CCHH)	C(CC[5]FH)(H)3	H(CCHH)	H(CCHH)	109.4377	0.083	4	109.4377	0.007	4	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(H)3	H(CCHH)	H(CCHH)	C(CC[5]HH)(H)3	H(CCHH)	H(CCHH)	109.3569	1.481	2090	109.3569	2.194	2090	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]HI)(H)3	H(CCHH)	H(CCHH)	C(CC[5]HI)(H)3	H(CCHH)	H(CCHH)	109.4736	0.069	8	109.4736	0.005	8	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]HN)(H)3	H(CCHH)	H(CCHH)	C(CC[5]HN)(H)3	H(CCHH)	H(CCHH)	109.4288	0.647	165	109.4288	0.419	165	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]HO)(H)3	H(CCHH)	H(CCHH)	C(CC[5]HO)(H)3	H(CCHH)	H(CCHH)	109.3981	0.838	204	109.3981	0.702	204	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]HP)(H)3	H(CCHH)	H(CCHH)	C(CC[5]HP)(H)3	H(CCHH)	H(CCHH)	109.4768	0.071	147	109.4768	0.005	147	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]HS)(H)3	H(CCHH)	H(CCHH)	C(CC[5]HS)(H)3	H(CCHH)	H(CCHH)	109.4664	0.059	8	109.4664	0.004	8	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]N[5]H)(H)3	H(CCHH)	H(CCHH)	C(CC[5]N[5]H)(H)3	H(CCHH)	H(CCHH)	109.4703	0.046	6	109.4703	0.002	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]Os2)(H)3	H(CCHH)	H(CCHH)	C(CC[5]Os2)(H)3	H(CCHH)	H(CCHH)	109.4745	0.031	11	109.4745	0.001	11	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]PdH)(H)3	H(CCHH)	H(CCHH)	C(CC[5]PdH)(H)3	H(CCHH)	H(CCHH)	107.6423	3.292	9	107.6423	10.839	9	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]RuC)(H)3	H(CCHH)	H(CCHH)	C(CC[5]RuC)(H)3	H(CCHH)	H(CCHH)	109.5689	0.135	8	109.5689	0.018	8	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]RuH)(H)3	H(CCHH)	H(CCHH)	C(CC[5]RuH)(H)3	H(CCHH)	H(CCHH)	109.5805	0.076	6	109.5805	0.006	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]2C)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]2C)(H)3	H(CCHH)	H(CCHH)	109.4125	0.762	844	109.4125	0.581	844	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]2C[5])(H)3	H(CCHH)	H(CCHH)	C(CC[5a]2C[5])(H)3	H(CCHH)	H(CCHH)	109.4941	0.062	9	109.4941	0.004	9	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]2C[6])(H)3	H(CCHH)	H(CCHH)	C(CC[5a]2C[6])(H)3	H(CCHH)	H(CCHH)	108.7127	2.067	4	108.7127	4.272	4	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]2C[6a])(H)3	H(CCHH)	H(CCHH)	C(CC[5a]2C[6a])(H)3	H(CCHH)	H(CCHH)	109.4477	0.577	147	109.4477	0.333	147	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]2Co)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]2Co)(H)3	H(CCHH)	H(CCHH)	109.4920	0.054	3	109.4920	0.003	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]2N)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]2N)(H)3	H(CCHH)	H(CCHH)	109.4603	0.040	3	109.4603	0.002	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]3)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]3)(H)3	H(CCHH)	H(CCHH)	109.4733	0.142	38	109.4733	0.020	38	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]CC)(H)3	H(CCHH)	H(CCHH)	109.3055	1.347	1480	109.3055	1.816	1480	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]CH)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]CH)(H)3	H(CCHH)	H(CCHH)	109.4138	1.499	409	109.4138	2.248	409	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]CN)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]CN)(H)3	H(CCHH)	H(CCHH)	109.4833	0.062	11	109.4833	0.004	11	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]CO)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]CO)(H)3	H(CCHH)	H(CCHH)	109.4739	0.043	17	109.4739	0.002	17	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[5]2)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]C[5]2)(H)3	H(CCHH)	H(CCHH)	109.3870	0.042	2	109.3870	0.002	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[5]C)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]C[5]C)(H)3	H(CCHH)	H(CCHH)	109.4466	0.263	303	109.4466	0.069	303	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[5]H)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]C[5]H)(H)3	H(CCHH)	H(CCHH)	109.5070	0.074	8	109.5070	0.005	8	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6]C)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]C[6]C)(H)3	H(CCHH)	H(CCHH)	109.4704	0.052	50	109.4704	0.003	50	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6]H)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]C[6]H)(H)3	H(CCHH)	H(CCHH)	107.9953	1.467	3	107.9953	2.153	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]C)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]C[6a]C)(H)3	H(CCHH)	H(CCHH)	109.2553	1.284	42	109.2553	1.649	42	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]C[5])(H)3	H(CCHH)	H(CCHH)	C(CC[5a]C[6a]C[5])(H)3	H(CCHH)	H(CCHH)	109.4450	1.982	3	109.4450	3.929	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]H)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]C[6a]H)(H)3	H(CCHH)	H(CCHH)	109.4519	0.060	17	109.4519	0.004	17	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]N)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]C[6a]N)(H)3	H(CCHH)	H(CCHH)	109.9193	1.764	8	109.9193	3.113	8	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]HH)(H)3	H(CCHH)	H(CCHH)	109.3227	1.571	2406	109.3227	2.468	2406	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]HN)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]HN)(H)3	H(CCHH)	H(CCHH)	109.4688	0.052	30	109.4688	0.003	30	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]HO)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]HO)(H)3	H(CCHH)	H(CCHH)	109.4722	0.041	32	109.4722	0.002	32	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]HS)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]HS)(H)3	H(CCHH)	H(CCHH)	109.4605	0.026	6	109.4605	0.001	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]N[5]H)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]N[5]H)(H)3	H(CCHH)	H(CCHH)	109.4778	0.021	4	109.4778	0.000	4	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]N[5a]C)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]N[5a]C)(H)3	H(CCHH)	H(CCHH)	109.4687	0.074	32	109.4687	0.005	32	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]N[6a]H)(H)3	H(CCHH)	H(CCHH)	C(CC[5a]N[6a]H)(H)3	H(CCHH)	H(CCHH)	107.4037	0.515	3	107.4037	0.265	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5x3,5x5,20x6]CH)(H)3	H(CCHH)	H(CCHH)	C(CC[5x3,5x5,20x6]CH)(H)3	H(CCHH)	H(CCHH)	109.4680	0.019	3	109.4680	0.000	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5x3,5x5,20x6]C[5]C)(H)3	H(CCHH)	H(CCHH)	C(CC[5x3,5x5,20x6]C[5]C)(H)3	H(CCHH)	H(CCHH)	109.4794	0.062	32	109.4794	0.004	32	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5x3,5x5,20x6]HH)(H)3	H(CCHH)	H(CCHH)	C(CC[5x3,5x5,20x6]HH)(H)3	H(CCHH)	H(CCHH)	109.4480	0.076	6	109.4480	0.006	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5x3,5x5,20x6]HO)(H)3	H(CCHH)	H(CCHH)	C(CC[5x3,5x5,20x6]HO)(H)3	H(CCHH)	H(CCHH)	109.4783	0.034	6	109.4783	0.001	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6,6]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[6,6]CC)(H)3	H(CCHH)	H(CCHH)	109.4625	0.071	23	109.4625	0.005	23	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6,6]CH)(H)3	H(CCHH)	H(CCHH)	C(CC[6,6]CH)(H)3	H(CCHH)	H(CCHH)	109.2387	0.709	114	109.2387	0.503	114	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6,6]CO)(H)3	H(CCHH)	H(CCHH)	C(CC[6,6]CO)(H)3	H(CCHH)	H(CCHH)	109.4785	0.052	10	109.4785	0.003	10	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6,6]C[5]O)(H)3	H(CCHH)	H(CCHH)	C(CC[6,6]C[5]O)(H)3	H(CCHH)	H(CCHH)	109.4623	0.036	3	109.4623	0.001	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6,6]HH)(H)3	H(CCHH)	H(CCHH)	C(CC[6,6]HH)(H)3	H(CCHH)	H(CCHH)	109.3413	1.378	287	109.3413	1.900	287	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6,6]HO)(H)3	H(CCHH)	H(CCHH)	C(CC[6,6]HO)(H)3	H(CCHH)	H(CCHH)	109.4739	0.041	21	109.4739	0.002	21	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]2C)(H)3	H(CCHH)	H(CCHH)	C(CC[6]2C)(H)3	H(CCHH)	H(CCHH)	108.8782	1.520	23	108.8782	2.311	23	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]2H)(H)3	H(CCHH)	H(CCHH)	C(CC[6]2H)(H)3	H(CCHH)	H(CCHH)	108.6378	2.174	21	108.6378	4.724	21	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]2N[5])(H)3	H(CCHH)	H(CCHH)	C(CC[6]2N[5])(H)3	H(CCHH)	H(CCHH)	109.5087	0.029	3	109.5087	0.001	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]2O)(H)3	H(CCHH)	H(CCHH)	C(CC[6]2O)(H)3	H(CCHH)	H(CCHH)	109.6726	4.594	22	109.6726	21.109	22	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]3)(H)3	H(CCHH)	H(CCHH)	C(CC[6]3)(H)3	H(CCHH)	H(CCHH)	109.4645	0.432	133	109.4645	0.186	133	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]BrC)(H)3	H(CCHH)	H(CCHH)	C(CC[6]BrC)(H)3	H(CCHH)	H(CCHH)	109.4530	0.016	3	109.4530	0.000	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[6]CC)(H)3	H(CCHH)	H(CCHH)	109.3552	1.353	6577	109.3552	1.832	6577	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]CF)(H)3	H(CCHH)	H(CCHH)	C(CC[6]CF)(H)3	H(CCHH)	H(CCHH)	109.4343	0.153	15	109.4343	0.023	15	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]CH)(H)3	H(CCHH)	H(CCHH)	C(CC[6]CH)(H)3	H(CCHH)	H(CCHH)	109.3480	1.346	7292	109.3480	1.813	7292	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]CN)(H)3	H(CCHH)	H(CCHH)	C(CC[6]CN)(H)3	H(CCHH)	H(CCHH)	109.4748	0.047	96	109.4748	0.002	96	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]CO)(H)3	H(CCHH)	H(CCHH)	C(CC[6]CO)(H)3	H(CCHH)	H(CCHH)	109.3980	1.506	537	109.3980	2.267	537	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]CS)(H)3	H(CCHH)	H(CCHH)	C(CC[6]CS)(H)3	H(CCHH)	H(CCHH)	109.4383	0.035	6	109.4383	0.001	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]ClC)(H)3	H(CCHH)	H(CCHH)	C(CC[6]ClC)(H)3	H(CCHH)	H(CCHH)	109.4829	0.044	21	109.4829	0.002	21	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(H)3	H(CCHH)	H(CCHH)	C(CC[6]HH)(H)3	H(CCHH)	H(CCHH)	109.3769	1.100	1496	109.3769	1.210	1496	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]HN)(H)3	H(CCHH)	H(CCHH)	C(CC[6]HN)(H)3	H(CCHH)	H(CCHH)	109.4198	2.228	198	109.4198	4.964	198	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]HO)(H)3	H(CCHH)	H(CCHH)	C(CC[6]HO)(H)3	H(CCHH)	H(CCHH)	109.4501	1.581	131	109.4501	2.500	131	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]HP)(H)3	H(CCHH)	H(CCHH)	C(CC[6]HP)(H)3	H(CCHH)	H(CCHH)	109.4550	0.044	2	109.4550	0.002	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]NU)(H)3	H(CCHH)	H(CCHH)	C(CC[6]NU)(H)3	H(CCHH)	H(CCHH)	109.4755	0.060	10	109.4755	0.004	10	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]N[5]2)(H)3	H(CCHH)	H(CCHH)	C(CC[6]N[5]2)(H)3	H(CCHH)	H(CCHH)	109.4513	0.074	3	109.4513	0.005	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]N[5]H)(H)3	H(CCHH)	H(CCHH)	C(CC[6]N[5]H)(H)3	H(CCHH)	H(CCHH)	108.8092	4.739	9	108.8092	22.456	9	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]N[6]H)(H)3	H(CCHH)	H(CCHH)	C(CC[6]N[6]H)(H)3	H(CCHH)	H(CCHH)	109.4503	0.041	3	109.4503	0.002	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]OO)(H)3	H(CCHH)	H(CCHH)	C(CC[6]OO)(H)3	H(CCHH)	H(CCHH)	109.4788	0.029	20	109.4788	0.001	20	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]PdC)(H)3	H(CCHH)	H(CCHH)	C(CC[6]PdC)(H)3	H(CCHH)	H(CCHH)	109.5470	0.017	2	109.5470	0.000	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]SiH)(H)3	H(CCHH)	H(CCHH)	C(CC[6]SiH)(H)3	H(CCHH)	H(CCHH)	109.4733	0.137	6	109.4733	0.019	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]ZrN)(H)3	H(CCHH)	H(CCHH)	C(CC[6]ZrN)(H)3	H(CCHH)	H(CCHH)	110.1493	10.343	3	110.1493	106.970	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]2C)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]2C)(H)3	H(CCHH)	H(CCHH)	109.1567	2.343	471	109.1567	5.489	471	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]2C[5])(H)3	H(CCHH)	H(CCHH)	C(CC[6a]2C[5])(H)3	H(CCHH)	H(CCHH)	109.4620	0.062	3	109.4620	0.004	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]2C[6])(H)3	H(CCHH)	H(CCHH)	C(CC[6a]2C[6])(H)3	H(CCHH)	H(CCHH)	109.4713	0.048	13	109.4713	0.002	13	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]2H)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]2H)(H)3	H(CCHH)	H(CCHH)	109.1473	1.303	404	109.1473	1.699	404	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]2N)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]2N)(H)3	H(CCHH)	H(CCHH)	109.4634	0.038	10	109.4634	0.001	10	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]2O)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]2O)(H)3	H(CCHH)	H(CCHH)	109.3925	1.662	22	109.3925	2.763	22	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]2Pd)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]2Pd)(H)3	H(CCHH)	H(CCHH)	109.4743	0.014	3	109.4743	0.000	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]3)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]3)(H)3	H(CCHH)	H(CCHH)	109.3711	0.434	44	109.3711	0.189	44	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]B[3]Ru)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]B[3]Ru)(H)3	H(CCHH)	H(CCHH)	109.5030	0.064	2	109.5030	0.004	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]B[5]2)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]B[5]2)(H)3	H(CCHH)	H(CCHH)	109.4787	0.027	3	109.4787	0.001	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]B[5]C)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]B[5]C)(H)3	H(CCHH)	H(CCHH)	109.4780	0.044	5	109.4780	0.002	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]BrH)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]BrH)(H)3	H(CCHH)	H(CCHH)	109.4600	0.022	3	109.4600	0.000	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]CC)(H)3	H(CCHH)	H(CCHH)	109.3257	1.274	29551	109.3257	1.622	29551	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]CF)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]CF)(H)3	H(CCHH)	H(CCHH)	109.1292	2.075	8	109.1292	4.307	8	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]CH)(H)3	H(CCHH)	H(CCHH)	109.3940	1.012	46656	109.3940	1.023	46656	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]CN)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]CN)(H)3	H(CCHH)	H(CCHH)	109.4826	1.073	329	109.4826	1.151	329	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]CO)(H)3	H(CCHH)	H(CCHH)	109.3622	1.175	383	109.3622	1.380	383	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]CP)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]CP)(H)3	H(CCHH)	H(CCHH)	109.4307	0.074	3	109.4307	0.005	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]CS)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]CS)(H)3	H(CCHH)	H(CCHH)	109.4653	0.026	6	109.4653	0.001	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]CW)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]CW)(H)3	H(CCHH)	H(CCHH)	109.5115	0.034	4	109.5115	0.001	4	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[3]C)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]C[3]C)(H)3	H(CCHH)	H(CCHH)	109.4700	0.000	1	109.4700	0.000	1	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[3]H)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]C[3]H)(H)3	H(CCHH)	H(CCHH)	109.4790	0.069	8	109.4790	0.005	8	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[3]N)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]C[3]N)(H)3	H(CCHH)	H(CCHH)	109.4517	0.115	3	109.4517	0.013	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[3]O)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]C[3]O)(H)3	H(CCHH)	H(CCHH)	109.4725	0.006	2	109.4725	0.000	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5]C)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]C[5]C)(H)3	H(CCHH)	H(CCHH)	109.3923	1.176	92	109.3923	1.382	92	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5]F)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]C[5]F)(H)3	H(CCHH)	H(CCHH)	109.3284	0.615	8	109.3284	0.378	8	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5]H)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]C[5]H)(H)3	H(CCHH)	H(CCHH)	109.4679	0.149	62	109.4679	0.022	62	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5]N)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]C[5]N)(H)3	H(CCHH)	H(CCHH)	109.4623	0.040	3	109.4623	0.002	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5]O)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]C[5]O)(H)3	H(CCHH)	H(CCHH)	109.4869	0.081	12	109.4869	0.007	12	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]2)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]C[6]2)(H)3	H(CCHH)	H(CCHH)	109.4856	0.049	24	109.4856	0.002	24	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]C)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]C[6]C)(H)3	H(CCHH)	H(CCHH)	109.0118	1.412	153	109.0118	1.995	153	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]F)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]C[6]F)(H)3	H(CCHH)	H(CCHH)	109.4925	0.064	2	109.4925	0.004	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]H)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]C[6]H)(H)3	H(CCHH)	H(CCHH)	109.1621	7.341	37	109.1621	53.893	37	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]O)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]C[6]O)(H)3	H(CCHH)	H(CCHH)	109.3142	0.645	21	109.3142	0.416	21	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]ClH)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]ClH)(H)3	H(CCHH)	H(CCHH)	109.4640	0.017	2	109.4640	0.000	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]FeC)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]FeC)(H)3	H(CCHH)	H(CCHH)	108.5746	2.716	5	108.5746	7.378	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]GeH)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]GeH)(H)3	H(CCHH)	H(CCHH)	109.4540	0.045	3	109.4540	0.002	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]HH)(H)3	H(CCHH)	H(CCHH)	109.4181	1.252	2504	109.4181	1.567	2504	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]HN)(H)3	H(CCHH)	H(CCHH)	109.4124	0.877	3451	109.4124	0.769	3451	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]HO)(H)3	H(CCHH)	H(CCHH)	109.4609	1.399	292	109.4609	1.956	292	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]HP)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]HP)(H)3	H(CCHH)	H(CCHH)	109.4727	0.057	34	109.4727	0.003	34	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]HS)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]HS)(H)3	H(CCHH)	H(CCHH)	109.4732	0.046	73	109.4732	0.002	73	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]IrC)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]IrC)(H)3	H(CCHH)	H(CCHH)	108.8813	1.128	3	108.8813	1.273	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]MoN)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]MoN)(H)3	H(CCHH)	H(CCHH)	109.4775	0.028	2	109.4775	0.001	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]NP)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]NP)(H)3	H(CCHH)	H(CCHH)	109.2259	2.460	11	109.2259	6.052	11	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[3]H)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]N[3]H)(H)3	H(CCHH)	H(CCHH)	109.4964	2.902	30	109.4964	8.424	30	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[4]H)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]N[4]H)(H)3	H(CCHH)	H(CCHH)	109.4833	0.053	11	109.4833	0.003	11	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[5]C)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]N[5]C)(H)3	H(CCHH)	H(CCHH)	109.4746	0.040	7	109.4746	0.002	7	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[5]H)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]N[5]H)(H)3	H(CCHH)	H(CCHH)	109.4149	0.829	182	109.4149	0.687	182	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[5a]2)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]N[5a]2)(H)3	H(CCHH)	H(CCHH)	109.4988	0.059	4	109.4988	0.004	4	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[5a]C)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]N[5a]C)(H)3	H(CCHH)	H(CCHH)	109.4597	0.039	3	109.4597	0.001	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[5a]H)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]N[5a]H)(H)3	H(CCHH)	H(CCHH)	109.4873	0.056	43	109.4873	0.003	43	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[6]H)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]N[6]H)(H)3	H(CCHH)	H(CCHH)	109.4603	0.723	228	109.4603	0.523	228	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[6a]H)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]N[6a]H)(H)3	H(CCHH)	H(CCHH)	109.4487	0.017	3	109.4487	0.000	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]NiC)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]NiC)(H)3	H(CCHH)	H(CCHH)	109.4456	0.053	7	109.4456	0.003	7	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]NiH)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]NiH)(H)3	H(CCHH)	H(CCHH)	109.5000	0.034	2	109.5000	0.001	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]NiO)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]NiO)(H)3	H(CCHH)	H(CCHH)	109.4670	0.052	3	109.4670	0.003	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]OO)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]OO)(H)3	H(CCHH)	H(CCHH)	109.4760	0.034	3	109.4760	0.001	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]OP)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]OP)(H)3	H(CCHH)	H(CCHH)	109.4596	0.032	9	109.4596	0.001	9	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]O[4]H)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]O[4]H)(H)3	H(CCHH)	H(CCHH)	109.4927	0.057	3	109.4927	0.003	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]P[6]O)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]P[6]O)(H)3	H(CCHH)	H(CCHH)	109.4960	0.016	3	109.4960	0.000	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]PtC)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]PtC)(H)3	H(CCHH)	H(CCHH)	109.4828	0.058	13	109.4828	0.003	13	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]RhH)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]RhH)(H)3	H(CCHH)	H(CCHH)	109.4580	0.034	6	109.4580	0.001	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]RuC)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]RuC)(H)3	H(CCHH)	H(CCHH)	109.4806	0.106	5	109.4806	0.011	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]SeH)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]SeH)(H)3	H(CCHH)	H(CCHH)	109.4682	0.054	17	109.4682	0.003	17	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]SiC)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]SiC)(H)3	H(CCHH)	H(CCHH)	109.4627	0.025	3	109.4627	0.001	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]SiH)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]SiH)(H)3	H(CCHH)	H(CCHH)	109.2173	2.014	15	109.2173	4.056	15	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]SnH)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]SnH)(H)3	H(CCHH)	H(CCHH)	109.4624	0.098	5	109.4624	0.010	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]ThN)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]ThN)(H)3	H(CCHH)	H(CCHH)	109.4772	0.058	18	109.4772	0.003	18	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCaCC)(H)3	H(CCHH)	H(CCHH)	C(CCaCC)(H)3	H(CCHH)	H(CCHH)	109.4827	0.012	3	109.4827	0.000	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCaCN)(H)3	H(CCHH)	H(CCHH)	C(CCaCN)(H)3	H(CCHH)	H(CCHH)	109.4606	0.092	11	109.4606	0.008	11	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCdOO)(H)3	H(CCHH)	H(CCHH)	C(CCdOO)(H)3	H(CCHH)	H(CCHH)	109.2516	0.625	20	109.2516	0.391	20	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCeOO)(H)3	H(CCHH)	H(CCHH)	C(CCeOO)(H)3	H(CCHH)	H(CCHH)	109.4548	0.095	6	109.4548	0.009	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCl2H)(H)3	H(CCHH)	H(CCHH)	C(CCl2H)(H)3	H(CCHH)	H(CCHH)	110.8320	1.379	4	110.8320	1.900	4	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCl3)(H)3	H(CCHH)	H(CCHH)	C(CCl3)(H)3	H(CCHH)	H(CCHH)	110.3021	1.575	14	110.3021	2.482	14	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CClCC)(H)3	H(CCHH)	H(CCHH)	C(CClCC)(H)3	H(CCHH)	H(CCHH)	109.2080	0.728	58	109.2080	0.530	58	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CClCH)(H)3	H(CCHH)	H(CCHH)	C(CClCH)(H)3	H(CCHH)	H(CCHH)	109.4125	0.775	51	109.4125	0.601	51	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CClCN)(H)3	H(CCHH)	H(CCHH)	C(CClCN)(H)3	H(CCHH)	H(CCHH)	109.4632	0.061	9	109.4632	0.004	9	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CClHH)(H)3	H(CCHH)	H(CCHH)	C(CClHH)(H)3	H(CCHH)	H(CCHH)	109.4260	1.698	13	109.4260	2.884	13	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCo2C)(H)3	H(CCHH)	H(CCHH)	C(CCo2C)(H)3	H(CCHH)	H(CCHH)	109.4693	0.059	7	109.4693	0.003	7	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCo2Mo)(H)3	H(CCHH)	H(CCHH)	C(CCo2Mo)(H)3	H(CCHH)	H(CCHH)	109.4862	0.055	5	109.4862	0.003	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCo3)(H)3	H(CCHH)	H(CCHH)	C(CCo3)(H)3	H(CCHH)	H(CCHH)	109.4753	0.049	3	109.4753	0.002	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCoCC)(H)3	H(CCHH)	H(CCHH)	C(CCoCC)(H)3	H(CCHH)	H(CCHH)	108.2365	1.867	33	108.2365	3.486	33	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCoCH)(H)3	H(CCHH)	H(CCHH)	C(CCoCH)(H)3	H(CCHH)	H(CCHH)	109.4297	0.136	23	109.4297	0.019	23	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCoHH)(H)3	H(CCHH)	H(CCHH)	C(CCoHH)(H)3	H(CCHH)	H(CCHH)	109.4674	0.055	18	109.4674	0.003	18	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCoNN)(H)3	H(CCHH)	H(CCHH)	C(CCoNN)(H)3	H(CCHH)	H(CCHH)	109.4476	0.067	5	109.4476	0.005	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCoOO)(H)3	H(CCHH)	H(CCHH)	C(CCoOO)(H)3	H(CCHH)	H(CCHH)	109.3649	2.033	16	109.3649	4.133	16	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCrCC)(H)3	H(CCHH)	H(CCHH)	C(CCrCC)(H)3	H(CCHH)	H(CCHH)	109.4764	0.043	11	109.4764	0.002	11	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCrHH)(H)3	H(CCHH)	H(CCHH)	C(CCrHH)(H)3	H(CCHH)	H(CCHH)	109.4583	0.051	9	109.4583	0.003	9	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCrNN)(H)3	H(CCHH)	H(CCHH)	C(CCrNN)(H)3	H(CCHH)	H(CCHH)	109.4807	0.034	10	109.4807	0.001	10	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCu2C)(H)3	H(CCHH)	H(CCHH)	C(CCu2C)(H)3	H(CCHH)	H(CCHH)	109.4318	0.043	6	109.4318	0.002	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCu2P)(H)3	H(CCHH)	H(CCHH)	C(CCu2P)(H)3	H(CCHH)	H(CCHH)	109.4675	0.006	2	109.4675	0.000	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CCuOO)(H)3	H(CCHH)	H(CCHH)	C(CCuOO)(H)3	H(CCHH)	H(CCHH)	109.4816	0.057	17	109.4816	0.003	17	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CErCC)(H)3	H(CCHH)	H(CCHH)	C(CErCC)(H)3	H(CCHH)	H(CCHH)	109.4980	0.014	2	109.4980	0.000	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CErOO)(H)3	H(CCHH)	H(CCHH)	C(CErOO)(H)3	H(CCHH)	H(CCHH)	109.4730	0.034	3	109.4730	0.001	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CEuCN)(H)3	H(CCHH)	H(CCHH)	C(CEuCN)(H)3	H(CCHH)	H(CCHH)	109.5118	0.071	5	109.5118	0.005	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CEuOO)(H)3	H(CCHH)	H(CCHH)	C(CEuOO)(H)3	H(CCHH)	H(CCHH)	109.4310	0.011	3	109.4310	0.000	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CFHS)(H)3	H(CCHH)	H(CCHH)	C(CFHS)(H)3	H(CCHH)	H(CCHH)	109.4550	0.017	4	109.4550	0.000	4	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CFe2C)(H)3	H(CCHH)	H(CCHH)	C(CFe2C)(H)3	H(CCHH)	H(CCHH)	107.8749	4.666	15	107.8749	21.774	15	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CFeCC)(H)3	H(CCHH)	H(CCHH)	C(CFeCC)(H)3	H(CCHH)	H(CCHH)	109.3730	0.520	64	109.3730	0.270	64	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CFeCH)(H)3	H(CCHH)	H(CCHH)	C(CFeCH)(H)3	H(CCHH)	H(CCHH)	109.4815	0.063	19	109.4815	0.004	19	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CFeCS)(H)3	H(CCHH)	H(CCHH)	C(CFeCS)(H)3	H(CCHH)	H(CCHH)	109.4483	0.019	4	109.4483	0.000	4	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CFeMoO)(H)3	H(CCHH)	H(CCHH)	C(CFeMoO)(H)3	H(CCHH)	H(CCHH)	109.4533	0.027	3	109.4533	0.001	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CFeNN)(H)3	H(CCHH)	H(CCHH)	C(CFeNN)(H)3	H(CCHH)	H(CCHH)	108.6893	0.354	3	108.6893	0.125	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CFeOO)(H)3	H(CCHH)	H(CCHH)	C(CFeOO)(H)3	H(CCHH)	H(CCHH)	108.9707	3.916	22	108.9707	15.335	22	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGaCC)(H)3	H(CCHH)	H(CCHH)	C(CGaCC)(H)3	H(CCHH)	H(CCHH)	108.7258	1.879	178	108.7258	3.529	178	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGaCH)(H)3	H(CCHH)	H(CCHH)	C(CGaCH)(H)3	H(CCHH)	H(CCHH)	109.4622	0.034	22	109.4622	0.001	22	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGaHH)(H)3	H(CCHH)	H(CCHH)	C(CGaHH)(H)3	H(CCHH)	H(CCHH)	109.1097	6.010	45	109.1097	36.117	45	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGa[3x6]CC)(H)3	H(CCHH)	H(CCHH)	C(CGa[3x6]CC)(H)3	H(CCHH)	H(CCHH)	109.4734	0.045	13	109.4734	0.002	13	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGa[4,4,6]CC)(H)3	H(CCHH)	H(CCHH)	C(CGa[4,4,6]CC)(H)3	H(CCHH)	H(CCHH)	109.4503	0.054	9	109.4503	0.003	9	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGa[4,6,6]CC)(H)3	H(CCHH)	H(CCHH)	C(CGa[4,6,6]CC)(H)3	H(CCHH)	H(CCHH)	109.4735	0.046	8	109.4735	0.002	8	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGa[4]CC)(H)3	H(CCHH)	H(CCHH)	C(CGa[4]CC)(H)3	H(CCHH)	H(CCHH)	109.4521	0.208	63	109.4521	0.043	63	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGa[4]HH)(H)3	H(CCHH)	H(CCHH)	C(CGa[4]HH)(H)3	H(CCHH)	H(CCHH)	109.4677	0.049	6	109.4677	0.002	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGa[5,5]CC)(H)3	H(CCHH)	H(CCHH)	C(CGa[5,5]CC)(H)3	H(CCHH)	H(CCHH)	109.4643	0.061	9	109.4643	0.004	9	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGa[5]CC)(H)3	H(CCHH)	H(CCHH)	C(CGa[5]CC)(H)3	H(CCHH)	H(CCHH)	108.9849	2.803	46	108.9849	7.859	46	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGa[6,6]CH)(H)3	H(CCHH)	H(CCHH)	C(CGa[6,6]CH)(H)3	H(CCHH)	H(CCHH)	109.4659	0.058	15	109.4659	0.003	15	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGa[6,6]HH)(H)3	H(CCHH)	H(CCHH)	C(CGa[6,6]HH)(H)3	H(CCHH)	H(CCHH)	109.4749	0.043	7	109.4749	0.002	7	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGa[6]CC)(H)3	H(CCHH)	H(CCHH)	C(CGa[6]CC)(H)3	H(CCHH)	H(CCHH)	109.4676	0.051	28	109.4676	0.003	28	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGa[6]CH)(H)3	H(CCHH)	H(CCHH)	C(CGa[6]CH)(H)3	H(CCHH)	H(CCHH)	109.4365	0.046	2	109.4365	0.002	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGa[6]HH)(H)3	H(CCHH)	H(CCHH)	C(CGa[6]HH)(H)3	H(CCHH)	H(CCHH)	109.4683	0.028	3	109.4683	0.001	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGdCC)(H)3	H(CCHH)	H(CCHH)	C(CGdCC)(H)3	H(CCHH)	H(CCHH)	109.4617	0.053	10	109.4617	0.003	10	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGdCO)(H)3	H(CCHH)	H(CCHH)	C(CGdCO)(H)3	H(CCHH)	H(CCHH)	109.4600	0.072	7	109.4600	0.005	7	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGdNN)(H)3	H(CCHH)	H(CCHH)	C(CGdNN)(H)3	H(CCHH)	H(CCHH)	109.4754	0.043	5	109.4754	0.002	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGdOO)(H)3	H(CCHH)	H(CCHH)	C(CGdOO)(H)3	H(CCHH)	H(CCHH)	109.4855	0.069	2	109.4855	0.005	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGeCC)(H)3	H(CCHH)	H(CCHH)	C(CGeCC)(H)3	H(CCHH)	H(CCHH)	109.4581	0.057	103	109.4581	0.003	103	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGeCH)(H)3	H(CCHH)	H(CCHH)	C(CGeCH)(H)3	H(CCHH)	H(CCHH)	109.4664	0.061	95	109.4664	0.004	95	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGeCP)(H)3	H(CCHH)	H(CCHH)	C(CGeCP)(H)3	H(CCHH)	H(CCHH)	109.4771	0.051	16	109.4771	0.003	16	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGeHH)(H)3	H(CCHH)	H(CCHH)	C(CGeHH)(H)3	H(CCHH)	H(CCHH)	109.4808	0.042	23	109.4808	0.002	23	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGe[3,3]CC)(H)3	H(CCHH)	H(CCHH)	C(CGe[3,3]CC)(H)3	H(CCHH)	H(CCHH)	109.4545	0.067	4	109.4545	0.005	4	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGe[3,4,4,3x5,4x6]HH)(H)3	H(CCHH)	H(CCHH)	C(CGe[3,4,4,3x5,4x6]HH)(H)3	H(CCHH)	H(CCHH)	109.4902	0.048	5	109.4902	0.002	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGe[4]CC)(H)3	H(CCHH)	H(CCHH)	C(CGe[4]CC)(H)3	H(CCHH)	H(CCHH)	109.4695	0.064	63	109.4695	0.004	63	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGe[5]CH)(H)3	H(CCHH)	H(CCHH)	C(CGe[5]CH)(H)3	H(CCHH)	H(CCHH)	109.4676	0.055	40	109.4676	0.003	40	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGe[5]HH)(H)3	H(CCHH)	H(CCHH)	C(CGe[5]HH)(H)3	H(CCHH)	H(CCHH)	109.4525	0.036	6	109.4525	0.001	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CGe[6]CC)(H)3	H(CCHH)	H(CCHH)	C(CGe[6]CC)(H)3	H(CCHH)	H(CCHH)	109.4707	0.057	12	109.4707	0.003	12	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CHHI)(H)3	H(CCHH)	H(CCHH)	C(CHHI)(H)3	H(CCHH)	H(CCHH)	109.5336	0.046	5	109.5336	0.002	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CHHN)(H)3	H(CCHH)	H(CCHH)	C(CHHN)(H)3	H(CCHH)	H(CCHH)	109.4049	1.101	17878	109.4049	1.211	17878	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CHHO)(H)3	H(CCHH)	H(CCHH)	C(CHHO)(H)3	H(CCHH)	H(CCHH)	109.4247	1.176	28682	109.4247	1.384	28682	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CHHP)(H)3	H(CCHH)	H(CCHH)	C(CHHP)(H)3	H(CCHH)	H(CCHH)	109.3737	1.015	5201	109.3737	1.031	5201	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CHHS)(H)3	H(CCHH)	H(CCHH)	C(CHHS)(H)3	H(CCHH)	H(CCHH)	109.4328	1.508	1082	109.4328	2.273	1082	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CHHW)(H)3	H(CCHH)	H(CCHH)	C(CHHW)(H)3	H(CCHH)	H(CCHH)	109.4447	0.072	3	109.4447	0.005	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CHNO)(H)3	H(CCHH)	H(CCHH)	C(CHNO)(H)3	H(CCHH)	H(CCHH)	109.4405	0.016	2	109.4405	0.000	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CHNP)(H)3	H(CCHH)	H(CCHH)	C(CHNP)(H)3	H(CCHH)	H(CCHH)	109.4774	0.073	13	109.4774	0.005	13	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CHNS)(H)3	H(CCHH)	H(CCHH)	C(CHNS)(H)3	H(CCHH)	H(CCHH)	109.5012	0.049	4	109.5012	0.002	4	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CHOO)(H)3	H(CCHH)	H(CCHH)	C(CHOO)(H)3	H(CCHH)	H(CCHH)	109.5124	0.951	11	109.5124	0.904	11	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CHOP)(H)3	H(CCHH)	H(CCHH)	C(CHOP)(H)3	H(CCHH)	H(CCHH)	109.4660	0.018	5	109.4660	0.000	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CHPP)(H)3	H(CCHH)	H(CCHH)	C(CHPP)(H)3	H(CCHH)	H(CCHH)	109.4728	0.049	12	109.4728	0.002	12	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CHfCC)(H)3	H(CCHH)	H(CCHH)	C(CHfCC)(H)3	H(CCHH)	H(CCHH)	108.4675	2.234	22	108.4675	4.991	22	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CHfCN)(H)3	H(CCHH)	H(CCHH)	C(CHfCN)(H)3	H(CCHH)	H(CCHH)	109.5090	0.045	2	109.5090	0.002	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CHfNN)(H)3	H(CCHH)	H(CCHH)	C(CHfNN)(H)3	H(CCHH)	H(CCHH)	109.4742	0.064	13	109.4742	0.004	13	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CHfSbC)(H)3	H(CCHH)	H(CCHH)	C(CHfSbC)(H)3	H(CCHH)	H(CCHH)	109.4620	0.011	2	109.4620	0.000	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CInCH)(H)3	H(CCHH)	H(CCHH)	C(CInCH)(H)3	H(CCHH)	H(CCHH)	109.4723	0.042	6	109.4723	0.002	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CInHH)(H)3	H(CCHH)	H(CCHH)	C(CInHH)(H)3	H(CCHH)	H(CCHH)	109.4971	0.063	16	109.4971	0.004	16	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CIn[4,5]HH)(H)3	H(CCHH)	H(CCHH)	C(CIn[4,5]HH)(H)3	H(CCHH)	H(CCHH)	109.4720	0.006	2	109.4720	0.000	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CIn[4]HH)(H)3	H(CCHH)	H(CCHH)	C(CIn[4]HH)(H)3	H(CCHH)	H(CCHH)	109.4585	0.050	2	109.4585	0.003	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CIn[6]CC)(H)3	H(CCHH)	H(CCHH)	C(CIn[6]CC)(H)3	H(CCHH)	H(CCHH)	109.4853	0.078	6	109.4853	0.006	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CIn[6]CH)(H)3	H(CCHH)	H(CCHH)	C(CIn[6]CH)(H)3	H(CCHH)	H(CCHH)	109.4643	0.027	3	109.4643	0.001	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CIn[6]HH)(H)3	H(CCHH)	H(CCHH)	C(CIn[6]HH)(H)3	H(CCHH)	H(CCHH)	109.4490	0.080	3	109.4490	0.006	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CIrCC)(H)3	H(CCHH)	H(CCHH)	C(CIrCC)(H)3	H(CCHH)	H(CCHH)	109.2947	3.475	3	109.2947	12.077	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CIrHH)(H)3	H(CCHH)	H(CCHH)	C(CIrHH)(H)3	H(CCHH)	H(CCHH)	109.4855	0.051	36	109.4855	0.003	36	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CIrNN)(H)3	H(CCHH)	H(CCHH)	C(CIrNN)(H)3	H(CCHH)	H(CCHH)	109.4655	0.043	6	109.4655	0.002	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CIrNO)(H)3	H(CCHH)	H(CCHH)	C(CIrNO)(H)3	H(CCHH)	H(CCHH)	109.4708	0.058	6	109.4708	0.003	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CIrOO)(H)3	H(CCHH)	H(CCHH)	C(CIrOO)(H)3	H(CCHH)	H(CCHH)	109.4607	0.056	29	109.4607	0.003	29	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CIrRuO)(H)3	H(CCHH)	H(CCHH)	C(CIrRuO)(H)3	H(CCHH)	H(CCHH)	109.4567	0.096	6	109.4567	0.009	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CLaCC)(H)3	H(CCHH)	H(CCHH)	C(CLaCC)(H)3	H(CCHH)	H(CCHH)	109.4938	0.048	4	109.4938	0.002	4	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CLaCN)(H)3	H(CCHH)	H(CCHH)	C(CLaCN)(H)3	H(CCHH)	H(CCHH)	109.4537	0.045	4	109.4537	0.002	4	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CLiCC)(H)3	H(CCHH)	H(CCHH)	C(CLiCC)(H)3	H(CCHH)	H(CCHH)	109.4618	0.048	9	109.4618	0.002	9	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CLiCH)(H)3	H(CCHH)	H(CCHH)	C(CLiCH)(H)3	H(CCHH)	H(CCHH)	109.5113	0.048	3	109.5113	0.002	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CLiHN)(H)3	H(CCHH)	H(CCHH)	C(CLiHN)(H)3	H(CCHH)	H(CCHH)	109.4920	0.071	6	109.4920	0.005	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CMgCC)(H)3	H(CCHH)	H(CCHH)	C(CMgCC)(H)3	H(CCHH)	H(CCHH)	108.4832	1.934	51	108.4832	3.740	51	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CMgHH)(H)3	H(CCHH)	H(CCHH)	C(CMgHH)(H)3	H(CCHH)	H(CCHH)	109.4715	0.059	2	109.4715	0.003	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CMgNN)(H)3	H(CCHH)	H(CCHH)	C(CMgNN)(H)3	H(CCHH)	H(CCHH)	109.4644	0.050	10	109.4644	0.002	10	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CMnCC)(H)3	H(CCHH)	H(CCHH)	C(CMnCC)(H)3	H(CCHH)	H(CCHH)	108.3238	1.844	18	108.3238	3.399	18	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CMnOO)(H)3	H(CCHH)	H(CCHH)	C(CMnOO)(H)3	H(CCHH)	H(CCHH)	109.4922	0.054	13	109.4922	0.003	13	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CMoCC)(H)3	H(CCHH)	H(CCHH)	C(CMoCC)(H)3	H(CCHH)	H(CCHH)	109.4927	1.576	74	109.4927	2.485	74	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CMoCH)(H)3	H(CCHH)	H(CCHH)	C(CMoCH)(H)3	H(CCHH)	H(CCHH)	109.4567	0.040	15	109.4567	0.002	15	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CMoCN)(H)3	H(CCHH)	H(CCHH)	C(CMoCN)(H)3	H(CCHH)	H(CCHH)	109.4690	0.065	2	109.4690	0.004	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CMoCO)(H)3	H(CCHH)	H(CCHH)	C(CMoCO)(H)3	H(CCHH)	H(CCHH)	109.0230	5.121	5	109.0230	26.223	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CMoHP)(H)3	H(CCHH)	H(CCHH)	C(CMoHP)(H)3	H(CCHH)	H(CCHH)	109.4347	0.078	6	109.4347	0.006	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CMoNN)(H)3	H(CCHH)	H(CCHH)	C(CMoNN)(H)3	H(CCHH)	H(CCHH)	109.4806	0.045	24	109.4806	0.002	24	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CMoOO)(H)3	H(CCHH)	H(CCHH)	C(CMoOO)(H)3	H(CCHH)	H(CCHH)	109.4627	0.060	3	109.4627	0.004	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CNNU)(H)3	H(CCHH)	H(CCHH)	C(CNNU)(H)3	H(CCHH)	H(CCHH)	108.1730	1.187	3	108.1730	1.409	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CNNV)(H)3	H(CCHH)	H(CCHH)	C(CNNV)(H)3	H(CCHH)	H(CCHH)	109.4735	0.064	4	109.4735	0.004	4	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CNNW)(H)3	H(CCHH)	H(CCHH)	C(CNNW)(H)3	H(CCHH)	H(CCHH)	109.4626	0.039	19	109.4626	0.001	19	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CNPP)(H)3	H(CCHH)	H(CCHH)	C(CNPP)(H)3	H(CCHH)	H(CCHH)	109.2303	0.962	71	109.2303	0.926	71	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[3,4]CC)(H)3	H(CCHH)	H(CCHH)	C(CN[3,4]CC)(H)3	H(CCHH)	H(CCHH)	109.4846	0.050	11	109.4846	0.002	11	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[3,5]CH)(H)3	H(CCHH)	H(CCHH)	C(CN[3,5]CH)(H)3	H(CCHH)	H(CCHH)	109.4693	0.023	3	109.4693	0.001	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[3,5]C[6a]H)(H)3	H(CCHH)	H(CCHH)	C(CN[3,5]C[6a]H)(H)3	H(CCHH)	H(CCHH)	109.4456	0.013	5	109.4456	0.000	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[3]CC)(H)3	H(CCHH)	H(CCHH)	C(CN[3]CC)(H)3	H(CCHH)	H(CCHH)	109.4733	0.059	83	109.4733	0.004	83	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[3]CH)(H)3	H(CCHH)	H(CCHH)	C(CN[3]CH)(H)3	H(CCHH)	H(CCHH)	109.0281	0.793	55	109.0281	0.629	55	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[3]HH)(H)3	H(CCHH)	H(CCHH)	C(CN[3]HH)(H)3	H(CCHH)	H(CCHH)	109.5150	0.017	2	109.5150	0.000	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[3x6]CC)(H)3	H(CCHH)	H(CCHH)	C(CN[3x6]CC)(H)3	H(CCHH)	H(CCHH)	109.4635	0.052	13	109.4635	0.003	13	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[3x6]HH)(H)3	H(CCHH)	H(CCHH)	C(CN[3x6]HH)(H)3	H(CCHH)	H(CCHH)	109.4605	0.050	32	109.4605	0.003	32	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[4,5]CC)(H)3	H(CCHH)	H(CCHH)	C(CN[4,5]CC)(H)3	H(CCHH)	H(CCHH)	109.4965	0.118	56	109.4965	0.014	56	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[4,6]CC)(H)3	H(CCHH)	H(CCHH)	C(CN[4,6]CC)(H)3	H(CCHH)	H(CCHH)	109.4867	0.106	17	109.4867	0.011	17	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[4]CC)(H)3	H(CCHH)	H(CCHH)	C(CN[4]CC)(H)3	H(CCHH)	H(CCHH)	109.4382	0.624	2550	109.4382	0.389	2550	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[4]CH)(H)3	H(CCHH)	H(CCHH)	C(CN[4]CH)(H)3	H(CCHH)	H(CCHH)	109.4886	0.496	340	109.4886	0.246	340	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[4]HH)(H)3	H(CCHH)	H(CCHH)	C(CN[4]HH)(H)3	H(CCHH)	H(CCHH)	109.4775	0.035	25	109.4775	0.001	25	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[4a,6a]HH)(H)3	H(CCHH)	H(CCHH)	C(CN[4a,6a]HH)(H)3	H(CCHH)	H(CCHH)	109.4694	0.043	7	109.4694	0.002	7	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5,5,6]CC)(H)3	H(CCHH)	H(CCHH)	C(CN[5,5,6]CC)(H)3	H(CCHH)	H(CCHH)	109.4810	0.043	6	109.4810	0.002	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5,5]CC)(H)3	H(CCHH)	H(CCHH)	C(CN[5,5]CC)(H)3	H(CCHH)	H(CCHH)	109.0137	1.301	17	109.0137	1.692	17	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5,5]CH)(H)3	H(CCHH)	H(CCHH)	C(CN[5,5]CH)(H)3	H(CCHH)	H(CCHH)	109.4678	0.022	6	109.4678	0.000	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5,5]C[6a]H)(H)3	H(CCHH)	H(CCHH)	C(CN[5,5]C[6a]H)(H)3	H(CCHH)	H(CCHH)	110.0117	0.768	6	110.0117	0.590	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5,6,6,6a,6a]CC)(H)3	H(CCHH)	H(CCHH)	C(CN[5,6,6,6a,6a]CC)(H)3	H(CCHH)	H(CCHH)	109.0062	1.528	9	109.0062	2.334	9	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5,6]C[6a]C)(H)3	H(CCHH)	H(CCHH)	C(CN[5,6]C[6a]C)(H)3	H(CCHH)	H(CCHH)	109.4518	0.055	5	109.4518	0.003	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5,6]C[6a]H)(H)3	H(CCHH)	H(CCHH)	C(CN[5,6]C[6a]H)(H)3	H(CCHH)	H(CCHH)	109.1323	2.591	6	109.1323	6.712	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5,6]HH)(H)3	H(CCHH)	H(CCHH)	C(CN[5,6]HH)(H)3	H(CCHH)	H(CCHH)	109.4707	0.061	8	109.4707	0.004	8	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5]2C)(H)3	H(CCHH)	H(CCHH)	C(CN[5]2C)(H)3	H(CCHH)	H(CCHH)	109.2192	0.395	16	109.2192	0.156	16	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5]2H)(H)3	H(CCHH)	H(CCHH)	C(CN[5]2H)(H)3	H(CCHH)	H(CCHH)	109.4608	0.032	5	109.4608	0.001	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5]CC)(H)3	H(CCHH)	H(CCHH)	C(CN[5]CC)(H)3	H(CCHH)	H(CCHH)	109.4112	0.961	4197	109.4112	0.924	4197	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5]CH)(H)3	H(CCHH)	H(CCHH)	C(CN[5]CH)(H)3	H(CCHH)	H(CCHH)	109.4349	1.110	4548	109.4349	1.232	4548	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5]CO)(H)3	H(CCHH)	H(CCHH)	C(CN[5]CO)(H)3	H(CCHH)	H(CCHH)	109.4871	0.095	11	109.4871	0.009	11	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(H)3	H(CCHH)	H(CCHH)	C(CN[5]HH)(H)3	H(CCHH)	H(CCHH)	109.4127	0.985	1992	109.4127	0.970	1992	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5]HN)(H)3	H(CCHH)	H(CCHH)	C(CN[5]HN)(H)3	H(CCHH)	H(CCHH)	109.4757	0.021	3	109.4757	0.000	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5]HO)(H)3	H(CCHH)	H(CCHH)	C(CN[5]HO)(H)3	H(CCHH)	H(CCHH)	109.4752	0.057	5	109.4752	0.003	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5]HS)(H)3	H(CCHH)	H(CCHH)	C(CN[5]HS)(H)3	H(CCHH)	H(CCHH)	109.4840	0.191	3	109.4840	0.036	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5a]2C[6])(H)3	H(CCHH)	H(CCHH)	C(CN[5a]2C[6])(H)3	H(CCHH)	H(CCHH)	109.4760	0.057	5	109.4760	0.003	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5a]CC)(H)3	H(CCHH)	H(CCHH)	C(CN[5a]CC)(H)3	H(CCHH)	H(CCHH)	109.3673	1.205	586	109.3673	1.452	586	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5a]CH)(H)3	H(CCHH)	H(CCHH)	C(CN[5a]CH)(H)3	H(CCHH)	H(CCHH)	109.4191	0.426	383	109.4191	0.182	383	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5a]CO)(H)3	H(CCHH)	H(CCHH)	C(CN[5a]CO)(H)3	H(CCHH)	H(CCHH)	109.4716	0.034	5	109.4716	0.001	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5a]C[5]H)(H)3	H(CCHH)	H(CCHH)	C(CN[5a]C[5]H)(H)3	H(CCHH)	H(CCHH)	109.0630	1.579	15	109.0630	2.492	15	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(H)3	H(CCHH)	H(CCHH)	C(CN[5a]HH)(H)3	H(CCHH)	H(CCHH)	109.4178	0.780	731	109.4178	0.608	731	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5a]HO)(H)3	H(CCHH)	H(CCHH)	C(CN[5a]HO)(H)3	H(CCHH)	H(CCHH)	109.2478	0.562	16	109.2478	0.316	16	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[5a]HS)(H)3	H(CCHH)	H(CCHH)	C(CN[5a]HS)(H)3	H(CCHH)	H(CCHH)	109.4827	0.029	3	109.4827	0.001	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[6,6]CC)(H)3	H(CCHH)	H(CCHH)	C(CN[6,6]CC)(H)3	H(CCHH)	H(CCHH)	109.4695	0.062	48	109.4695	0.004	48	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[6,6]CH)(H)3	H(CCHH)	H(CCHH)	C(CN[6,6]CH)(H)3	H(CCHH)	H(CCHH)	109.4843	0.021	3	109.4843	0.000	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[6,6]C[6a]H)(H)3	H(CCHH)	H(CCHH)	C(CN[6,6]C[6a]H)(H)3	H(CCHH)	H(CCHH)	109.5007	0.019	3	109.5007	0.000	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[6,6]HH)(H)3	H(CCHH)	H(CCHH)	C(CN[6,6]HH)(H)3	H(CCHH)	H(CCHH)	109.4558	0.046	9	109.4558	0.002	9	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[6]CC)(H)3	H(CCHH)	H(CCHH)	C(CN[6]CC)(H)3	H(CCHH)	H(CCHH)	109.3760	2.900	478	109.3760	8.410	478	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[6]CH)(H)3	H(CCHH)	H(CCHH)	C(CN[6]CH)(H)3	H(CCHH)	H(CCHH)	109.4191	0.853	730	109.4191	0.727	730	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(H)3	H(CCHH)	H(CCHH)	C(CN[6]HH)(H)3	H(CCHH)	H(CCHH)	109.4071	0.867	975	109.4071	0.752	975	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[6a]CC)(H)3	H(CCHH)	H(CCHH)	C(CN[6a]CC)(H)3	H(CCHH)	H(CCHH)	108.9109	1.480	59	108.9109	2.192	59	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[6a]CH)(H)3	H(CCHH)	H(CCHH)	C(CN[6a]CH)(H)3	H(CCHH)	H(CCHH)	109.4687	0.047	93	109.4687	0.002	93	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CN[6a]HH)(H)3	H(CCHH)	H(CCHH)	C(CN[6a]HH)(H)3	H(CCHH)	H(CCHH)	109.2810	1.862	365	109.2810	3.465	365	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CNb[6]LiO)(H)3	H(CCHH)	H(CCHH)	C(CNb[6]LiO)(H)3	H(CCHH)	H(CCHH)	109.4383	0.044	3	109.4383	0.002	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CNdCN)(H)3	H(CCHH)	H(CCHH)	C(CNdCN)(H)3	H(CCHH)	H(CCHH)	109.4857	0.074	3	109.4857	0.005	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CNdNO)(H)3	H(CCHH)	H(CCHH)	C(CNdNO)(H)3	H(CCHH)	H(CCHH)	109.4733	0.054	3	109.4733	0.003	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CNiCC)(H)3	H(CCHH)	H(CCHH)	C(CNiCC)(H)3	H(CCHH)	H(CCHH)	109.4770	1.363	101	109.4770	1.857	101	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CNiCH)(H)3	H(CCHH)	H(CCHH)	C(CNiCH)(H)3	H(CCHH)	H(CCHH)	109.4569	0.062	12	109.4569	0.004	12	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CNiCN)(H)3	H(CCHH)	H(CCHH)	C(CNiCN)(H)3	H(CCHH)	H(CCHH)	109.4559	0.033	7	109.4559	0.001	7	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CNiCO)(H)3	H(CCHH)	H(CCHH)	C(CNiCO)(H)3	H(CCHH)	H(CCHH)	109.4647	0.034	3	109.4647	0.001	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CNiHH)(H)3	H(CCHH)	H(CCHH)	C(CNiHH)(H)3	H(CCHH)	H(CCHH)	109.4750	0.045	12	109.4750	0.002	12	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CNiHO)(H)3	H(CCHH)	H(CCHH)	C(CNiHO)(H)3	H(CCHH)	H(CCHH)	109.4550	0.065	2	109.4550	0.004	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CNiOO)(H)3	H(CCHH)	H(CCHH)	C(CNiOO)(H)3	H(CCHH)	H(CCHH)	109.4549	0.041	42	109.4549	0.002	42	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(COOU)(H)3	H(CCHH)	H(CCHH)	C(COOU)(H)3	H(CCHH)	H(CCHH)	109.4603	0.055	11	109.4603	0.003	11	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(COOY)(H)3	H(CCHH)	H(CCHH)	C(COOY)(H)3	H(CCHH)	H(CCHH)	109.4972	0.049	6	109.4972	0.002	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(COPP)(H)3	H(CCHH)	H(CCHH)	C(COPP)(H)3	H(CCHH)	H(CCHH)	109.4679	0.060	60	109.4679	0.004	60	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CO[4]CC)(H)3	H(CCHH)	H(CCHH)	C(CO[4]CC)(H)3	H(CCHH)	H(CCHH)	109.5007	0.050	3	109.5007	0.003	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CO[4]CH)(H)3	H(CCHH)	H(CCHH)	C(CO[4]CH)(H)3	H(CCHH)	H(CCHH)	109.5015	0.062	14	109.5015	0.004	14	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CO[4]HH)(H)3	H(CCHH)	H(CCHH)	C(CO[4]HH)(H)3	H(CCHH)	H(CCHH)	109.4723	0.201	3	109.4723	0.040	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(COsCC)(H)3	H(CCHH)	H(CCHH)	C(COsCC)(H)3	H(CCHH)	H(CCHH)	109.4765	0.061	25	109.4765	0.004	25	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(COsCH)(H)3	H(CCHH)	H(CCHH)	C(COsCH)(H)3	H(CCHH)	H(CCHH)	109.4663	0.064	12	109.4663	0.004	12	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(COsOO)(H)3	H(CCHH)	H(CCHH)	C(COsOO)(H)3	H(CCHH)	H(CCHH)	109.4260	0.082	2	109.4260	0.007	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(COsSiC)(H)3	H(CCHH)	H(CCHH)	C(COsSiC)(H)3	H(CCHH)	H(CCHH)	109.4478	0.148	5	109.4478	0.022	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CP[3]CC)(H)3	H(CCHH)	H(CCHH)	C(CP[3]CC)(H)3	H(CCHH)	H(CCHH)	109.4701	0.043	40	109.4701	0.002	40	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CP[3]CH)(H)3	H(CCHH)	H(CCHH)	C(CP[3]CH)(H)3	H(CCHH)	H(CCHH)	109.4628	0.036	6	109.4628	0.001	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CP[4,4]CH)(H)3	H(CCHH)	H(CCHH)	C(CP[4,4]CH)(H)3	H(CCHH)	H(CCHH)	109.4671	0.040	14	109.4671	0.002	14	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CP[4,4]HH)(H)3	H(CCHH)	H(CCHH)	C(CP[4,4]HH)(H)3	H(CCHH)	H(CCHH)	109.4995	0.019	2	109.4995	0.000	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CP[4]CC)(H)3	H(CCHH)	H(CCHH)	C(CP[4]CC)(H)3	H(CCHH)	H(CCHH)	109.2985	1.502	177	109.2985	2.256	177	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CP[4]CH)(H)3	H(CCHH)	H(CCHH)	C(CP[4]CH)(H)3	H(CCHH)	H(CCHH)	109.4644	0.054	38	109.4644	0.003	38	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CP[4]HH)(H)3	H(CCHH)	H(CCHH)	C(CP[4]HH)(H)3	H(CCHH)	H(CCHH)	109.4843	0.039	8	109.4843	0.002	8	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CP[4x6]HH)(H)3	H(CCHH)	H(CCHH)	C(CP[4x6]HH)(H)3	H(CCHH)	H(CCHH)	106.8670	0.523	3	106.8670	0.274	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CP[5,5]CC)(H)3	H(CCHH)	H(CCHH)	C(CP[5,5]CC)(H)3	H(CCHH)	H(CCHH)	109.4707	0.029	4	109.4707	0.001	4	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CP[5]CC)(H)3	H(CCHH)	H(CCHH)	C(CP[5]CC)(H)3	H(CCHH)	H(CCHH)	109.4379	0.336	558	109.4379	0.113	558	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CP[5]CH)(H)3	H(CCHH)	H(CCHH)	C(CP[5]CH)(H)3	H(CCHH)	H(CCHH)	109.3514	1.156	409	109.3514	1.337	409	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CP[5]HH)(H)3	H(CCHH)	H(CCHH)	C(CP[5]HH)(H)3	H(CCHH)	H(CCHH)	109.4911	0.474	59	109.4911	0.225	59	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CP[5]SeC)(H)3	H(CCHH)	H(CCHH)	C(CP[5]SeC)(H)3	H(CCHH)	H(CCHH)	110.6387	5.142	6	110.6387	26.440	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CP[6,6]CH)(H)3	H(CCHH)	H(CCHH)	C(CP[6,6]CH)(H)3	H(CCHH)	H(CCHH)	109.4874	0.052	7	109.4874	0.003	7	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CP[6]CC)(H)3	H(CCHH)	H(CCHH)	C(CP[6]CC)(H)3	H(CCHH)	H(CCHH)	109.4618	0.093	189	109.4618	0.009	189	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CP[6]CH)(H)3	H(CCHH)	H(CCHH)	C(CP[6]CH)(H)3	H(CCHH)	H(CCHH)	109.4718	0.057	89	109.4718	0.003	89	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CP[6]CO)(H)3	H(CCHH)	H(CCHH)	C(CP[6]CO)(H)3	H(CCHH)	H(CCHH)	109.4649	0.064	15	109.4649	0.004	15	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CP[6]HH)(H)3	H(CCHH)	H(CCHH)	C(CP[6]HH)(H)3	H(CCHH)	H(CCHH)	109.4864	0.050	11	109.4864	0.002	11	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CP[6]SnH)(H)3	H(CCHH)	H(CCHH)	C(CP[6]SnH)(H)3	H(CCHH)	H(CCHH)	109.4190	0.013	2	109.4190	0.000	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CPbCC)(H)3	H(CCHH)	H(CCHH)	C(CPbCC)(H)3	H(CCHH)	H(CCHH)	109.4600	0.101	10	109.4600	0.010	10	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CPbCH)(H)3	H(CCHH)	H(CCHH)	C(CPbCH)(H)3	H(CCHH)	H(CCHH)	109.4215	0.018	2	109.4215	0.000	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CPbHH)(H)3	H(CCHH)	H(CCHH)	C(CPbHH)(H)3	H(CCHH)	H(CCHH)	109.4238	0.094	6	109.4238	0.009	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CPbOO)(H)3	H(CCHH)	H(CCHH)	C(CPbOO)(H)3	H(CCHH)	H(CCHH)	109.5033	0.138	20	109.5033	0.019	20	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CPdCC)(H)3	H(CCHH)	H(CCHH)	C(CPdCC)(H)3	H(CCHH)	H(CCHH)	109.0143	2.456	126	109.0143	6.032	126	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CPdCH)(H)3	H(CCHH)	H(CCHH)	C(CPdCH)(H)3	H(CCHH)	H(CCHH)	109.4803	0.065	38	109.4803	0.004	38	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CPdHH)(H)3	H(CCHH)	H(CCHH)	C(CPdHH)(H)3	H(CCHH)	H(CCHH)	109.4490	0.060	5	109.4490	0.004	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CPdHN)(H)3	H(CCHH)	H(CCHH)	C(CPdHN)(H)3	H(CCHH)	H(CCHH)	109.4263	0.019	3	109.4263	0.000	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CPdOO)(H)3	H(CCHH)	H(CCHH)	C(CPdOO)(H)3	H(CCHH)	H(CCHH)	109.4820	0.012	5	109.4820	0.000	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CPt2O)(H)3	H(CCHH)	H(CCHH)	C(CPt2O)(H)3	H(CCHH)	H(CCHH)	109.4550	0.046	9	109.4550	0.002	9	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CPtCC)(H)3	H(CCHH)	H(CCHH)	C(CPtCC)(H)3	H(CCHH)	H(CCHH)	109.5432	0.420	17	109.5432	0.177	17	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CPtCH)(H)3	H(CCHH)	H(CCHH)	C(CPtCH)(H)3	H(CCHH)	H(CCHH)	109.4770	0.106	18	109.4770	0.011	18	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CPtCO)(H)3	H(CCHH)	H(CCHH)	C(CPtCO)(H)3	H(CCHH)	H(CCHH)	109.5018	0.063	4	109.5018	0.004	4	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CPtHH)(H)3	H(CCHH)	H(CCHH)	C(CPtHH)(H)3	H(CCHH)	H(CCHH)	109.4523	0.067	13	109.4523	0.005	13	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CPtOO)(H)3	H(CCHH)	H(CCHH)	C(CPtOO)(H)3	H(CCHH)	H(CCHH)	109.4580	0.027	2	109.4580	0.001	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CReHH)(H)3	H(CCHH)	H(CCHH)	C(CReHH)(H)3	H(CCHH)	H(CCHH)	109.2870	0.327	6	109.2870	0.107	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CRhCC)(H)3	H(CCHH)	H(CCHH)	C(CRhCC)(H)3	H(CCHH)	H(CCHH)	109.4467	0.159	23	109.4467	0.025	23	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CRhCH)(H)3	H(CCHH)	H(CCHH)	C(CRhCH)(H)3	H(CCHH)	H(CCHH)	109.1121	0.504	10	109.1121	0.254	10	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CRhHH)(H)3	H(CCHH)	H(CCHH)	C(CRhHH)(H)3	H(CCHH)	H(CCHH)	109.4820	0.049	8	109.4820	0.002	8	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CRhOO)(H)3	H(CCHH)	H(CCHH)	C(CRhOO)(H)3	H(CCHH)	H(CCHH)	109.4816	0.049	21	109.4816	0.002	21	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CRhZrO)(H)3	H(CCHH)	H(CCHH)	C(CRhZrO)(H)3	H(CCHH)	H(CCHH)	109.4835	0.057	6	109.4835	0.003	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CRu2C)(H)3	H(CCHH)	H(CCHH)	C(CRu2C)(H)3	H(CCHH)	H(CCHH)	109.4803	0.018	3	109.4803	0.000	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CRu2H)(H)3	H(CCHH)	H(CCHH)	C(CRu2H)(H)3	H(CCHH)	H(CCHH)	109.4440	0.008	3	109.4440	0.000	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CRu3)(H)3	H(CCHH)	H(CCHH)	C(CRu3)(H)3	H(CCHH)	H(CCHH)	109.4895	0.042	2	109.4895	0.002	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CRuBC)(H)3	H(CCHH)	H(CCHH)	C(CRuBC)(H)3	H(CCHH)	H(CCHH)	109.0817	2.608	8	109.0817	6.803	8	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CRuCC)(H)3	H(CCHH)	H(CCHH)	C(CRuCC)(H)3	H(CCHH)	H(CCHH)	109.2195	2.943	169	109.2195	8.659	169	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CRuCH)(H)3	H(CCHH)	H(CCHH)	C(CRuCH)(H)3	H(CCHH)	H(CCHH)	109.4721	0.075	21	109.4721	0.006	21	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CRuCN)(H)3	H(CCHH)	H(CCHH)	C(CRuCN)(H)3	H(CCHH)	H(CCHH)	109.5227	0.028	3	109.5227	0.001	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CRuCO)(H)3	H(CCHH)	H(CCHH)	C(CRuCO)(H)3	H(CCHH)	H(CCHH)	109.4677	0.093	6	109.4677	0.009	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CRuHH)(H)3	H(CCHH)	H(CCHH)	C(CRuHH)(H)3	H(CCHH)	H(CCHH)	109.4889	0.057	8	109.4889	0.003	8	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CRuNN)(H)3	H(CCHH)	H(CCHH)	C(CRuNN)(H)3	H(CCHH)	H(CCHH)	109.4980	0.044	6	109.4980	0.002	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CRuOO)(H)3	H(CCHH)	H(CCHH)	C(CRuOO)(H)3	H(CCHH)	H(CCHH)	109.4752	0.044	55	109.4752	0.002	55	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CRuSiC)(H)3	H(CCHH)	H(CCHH)	C(CRuSiC)(H)3	H(CCHH)	H(CCHH)	109.4670	0.078	3	109.4670	0.006	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CS[3]CH)(H)3	H(CCHH)	H(CCHH)	C(CS[3]CH)(H)3	H(CCHH)	H(CCHH)	109.5084	0.124	14	109.5084	0.015	14	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CS[5]CC)(H)3	H(CCHH)	H(CCHH)	C(CS[5]CC)(H)3	H(CCHH)	H(CCHH)	109.4646	0.063	5	109.4646	0.004	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CS[5]CH)(H)3	H(CCHH)	H(CCHH)	C(CS[5]CH)(H)3	H(CCHH)	H(CCHH)	109.4667	0.070	45	109.4667	0.005	45	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CS[6]CC)(H)3	H(CCHH)	H(CCHH)	C(CS[6]CC)(H)3	H(CCHH)	H(CCHH)	109.4440	0.037	7	109.4440	0.001	7	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CS[6]CH)(H)3	H(CCHH)	H(CCHH)	C(CS[6]CH)(H)3	H(CCHH)	H(CCHH)	109.4693	0.059	3	109.4693	0.003	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CS[6]HH)(H)3	H(CCHH)	H(CCHH)	C(CS[6]HH)(H)3	H(CCHH)	H(CCHH)	109.4564	0.034	9	109.4564	0.001	9	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSbCC)(H)3	H(CCHH)	H(CCHH)	C(CSbCC)(H)3	H(CCHH)	H(CCHH)	109.4678	0.052	13	109.4678	0.003	13	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSbCH)(H)3	H(CCHH)	H(CCHH)	C(CSbCH)(H)3	H(CCHH)	H(CCHH)	109.4860	0.076	40	109.4860	0.006	40	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSbHH)(H)3	H(CCHH)	H(CCHH)	C(CSbHH)(H)3	H(CCHH)	H(CCHH)	109.4848	0.071	34	109.4848	0.005	34	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CScCN)(H)3	H(CCHH)	H(CCHH)	C(CScCN)(H)3	H(CCHH)	H(CCHH)	109.4761	0.038	7	109.4761	0.001	7	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CScOO)(H)3	H(CCHH)	H(CCHH)	C(CScOO)(H)3	H(CCHH)	H(CCHH)	109.4780	0.041	2	109.4780	0.002	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSeCC)(H)3	H(CCHH)	H(CCHH)	C(CSeCC)(H)3	H(CCHH)	H(CCHH)	109.4350	0.355	194	109.4350	0.126	194	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSeCH)(H)3	H(CCHH)	H(CCHH)	C(CSeCH)(H)3	H(CCHH)	H(CCHH)	109.4624	0.061	23	109.4624	0.004	23	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSeHH)(H)3	H(CCHH)	H(CCHH)	C(CSeHH)(H)3	H(CCHH)	H(CCHH)	109.4594	0.044	23	109.4594	0.002	23	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSi3)(H)3	H(CCHH)	H(CCHH)	C(CSi3)(H)3	H(CCHH)	H(CCHH)	109.4627	0.036	6	109.4627	0.001	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSiCC)(H)3	H(CCHH)	H(CCHH)	C(CSiCC)(H)3	H(CCHH)	H(CCHH)	109.2902	1.295	6225	109.2902	1.678	6225	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSiCH)(H)3	H(CCHH)	H(CCHH)	C(CSiCH)(H)3	H(CCHH)	H(CCHH)	109.2932	1.002	4228	109.2932	1.005	4228	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSiCO)(H)3	H(CCHH)	H(CCHH)	C(CSiCO)(H)3	H(CCHH)	H(CCHH)	109.4808	0.062	5	109.4808	0.004	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSiHH)(H)3	H(CCHH)	H(CCHH)	C(CSiHH)(H)3	H(CCHH)	H(CCHH)	109.3429	0.891	707	109.3429	0.794	707	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSiSnH)(H)3	H(CCHH)	H(CCHH)	C(CSiSnH)(H)3	H(CCHH)	H(CCHH)	109.4470	0.051	2	109.4470	0.003	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSi[3,4,4]CC)(H)3	H(CCHH)	H(CCHH)	C(CSi[3,4,4]CC)(H)3	H(CCHH)	H(CCHH)	109.3955	0.127	2	109.3955	0.016	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSi[3,4,5,5]CC)(H)3	H(CCHH)	H(CCHH)	C(CSi[3,4,5,5]CC)(H)3	H(CCHH)	H(CCHH)	109.4708	0.058	5	109.4708	0.003	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSi[3,4]CC)(H)3	H(CCHH)	H(CCHH)	C(CSi[3,4]CC)(H)3	H(CCHH)	H(CCHH)	107.0444	1.673	27	107.0444	2.800	27	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSi[3]CC)(H)3	H(CCHH)	H(CCHH)	C(CSi[3]CC)(H)3	H(CCHH)	H(CCHH)	109.4560	0.063	29	109.4560	0.004	29	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSi[3x4,5]CC)(H)3	H(CCHH)	H(CCHH)	C(CSi[3x4,5]CC)(H)3	H(CCHH)	H(CCHH)	109.4570	0.095	2	109.4570	0.009	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSi[4,4]CH)(H)3	H(CCHH)	H(CCHH)	C(CSi[4,4]CH)(H)3	H(CCHH)	H(CCHH)	109.4474	0.650	171	109.4474	0.423	171	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSi[4]CC)(H)3	H(CCHH)	H(CCHH)	C(CSi[4]CC)(H)3	H(CCHH)	H(CCHH)	109.4728	0.048	39	109.4728	0.002	39	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSi[4]CH)(H)3	H(CCHH)	H(CCHH)	C(CSi[4]CH)(H)3	H(CCHH)	H(CCHH)	109.4740	0.622	150	109.4740	0.387	150	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSi[4x4]CC)(H)3	H(CCHH)	H(CCHH)	C(CSi[4x4]CC)(H)3	H(CCHH)	H(CCHH)	109.4706	0.063	10	109.4706	0.004	10	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSi[5]CC)(H)3	H(CCHH)	H(CCHH)	C(CSi[5]CC)(H)3	H(CCHH)	H(CCHH)	108.8763	4.544	182	108.8763	20.651	182	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSi[5]CH)(H)3	H(CCHH)	H(CCHH)	C(CSi[5]CH)(H)3	H(CCHH)	H(CCHH)	108.7998	2.164	192	108.7998	4.682	192	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSi[5]HH)(H)3	H(CCHH)	H(CCHH)	C(CSi[5]HH)(H)3	H(CCHH)	H(CCHH)	109.4215	0.090	2	109.4215	0.008	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSi[6,6]CH)(H)3	H(CCHH)	H(CCHH)	C(CSi[6,6]CH)(H)3	H(CCHH)	H(CCHH)	109.4513	0.051	4	109.4513	0.003	4	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSi[6]CC)(H)3	H(CCHH)	H(CCHH)	C(CSi[6]CC)(H)3	H(CCHH)	H(CCHH)	109.4886	1.903	147	109.4886	3.623	147	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSi[6]CH)(H)3	H(CCHH)	H(CCHH)	C(CSi[6]CH)(H)3	H(CCHH)	H(CCHH)	109.4721	0.050	38	109.4721	0.003	38	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSi[6]HH)(H)3	H(CCHH)	H(CCHH)	C(CSi[6]HH)(H)3	H(CCHH)	H(CCHH)	109.4692	0.040	17	109.4692	0.002	17	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSmCN)(H)3	H(CCHH)	H(CCHH)	C(CSmCN)(H)3	H(CCHH)	H(CCHH)	109.4522	0.077	5	109.4522	0.006	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSnCC)(H)3	H(CCHH)	H(CCHH)	C(CSnCC)(H)3	H(CCHH)	H(CCHH)	109.4963	0.550	914	109.4963	0.302	914	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSnCH)(H)3	H(CCHH)	H(CCHH)	C(CSnCH)(H)3	H(CCHH)	H(CCHH)	109.4603	0.085	71	109.4603	0.007	71	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSnCP)(H)3	H(CCHH)	H(CCHH)	C(CSnCP)(H)3	H(CCHH)	H(CCHH)	109.4896	0.040	11	109.4896	0.002	11	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSnHH)(H)3	H(CCHH)	H(CCHH)	C(CSnHH)(H)3	H(CCHH)	H(CCHH)	109.3494	1.963	29	109.3494	3.854	29	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CSnOO)(H)3	H(CCHH)	H(CCHH)	C(CSnOO)(H)3	H(CCHH)	H(CCHH)	109.4888	0.056	9	109.4888	0.003	9	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CTaBC)(H)3	H(CCHH)	H(CCHH)	C(CTaBC)(H)3	H(CCHH)	H(CCHH)	109.4803	0.099	3	109.4803	0.010	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CTaCC)(H)3	H(CCHH)	H(CCHH)	C(CTaCC)(H)3	H(CCHH)	H(CCHH)	109.4293	0.029	3	109.4293	0.001	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CTaCH)(H)3	H(CCHH)	H(CCHH)	C(CTaCH)(H)3	H(CCHH)	H(CCHH)	109.4120	0.031	2	109.4120	0.001	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CTaCN)(H)3	H(CCHH)	H(CCHH)	C(CTaCN)(H)3	H(CCHH)	H(CCHH)	109.4678	0.056	6	109.4678	0.003	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CTaHH)(H)3	H(CCHH)	H(CCHH)	C(CTaHH)(H)3	H(CCHH)	H(CCHH)	109.4300	0.072	3	109.4300	0.005	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CTaNN)(H)3	H(CCHH)	H(CCHH)	C(CTaNN)(H)3	H(CCHH)	H(CCHH)	109.4664	0.052	22	109.4664	0.003	22	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CTbCC)(H)3	H(CCHH)	H(CCHH)	C(CTbCC)(H)3	H(CCHH)	H(CCHH)	109.4508	0.073	5	109.4508	0.005	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CTbCO)(H)3	H(CCHH)	H(CCHH)	C(CTbCO)(H)3	H(CCHH)	H(CCHH)	109.4336	0.059	5	109.4336	0.003	5	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CTbOO)(H)3	H(CCHH)	H(CCHH)	C(CTbOO)(H)3	H(CCHH)	H(CCHH)	109.4909	0.083	7	109.4909	0.007	7	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CTeCC)(H)3	H(CCHH)	H(CCHH)	C(CTeCC)(H)3	H(CCHH)	H(CCHH)	109.4754	0.031	8	109.4754	0.001	8	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CTeCH)(H)3	H(CCHH)	H(CCHH)	C(CTeCH)(H)3	H(CCHH)	H(CCHH)	109.4903	0.036	3	109.4903	0.001	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CThNN)(H)3	H(CCHH)	H(CCHH)	C(CThNN)(H)3	H(CCHH)	H(CCHH)	109.4639	0.046	34	109.4639	0.002	34	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CTi3)(H)3	H(CCHH)	H(CCHH)	C(CTi3)(H)3	H(CCHH)	H(CCHH)	109.4697	0.106	3	109.4697	0.011	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CTiCC)(H)3	H(CCHH)	H(CCHH)	C(CTiCC)(H)3	H(CCHH)	H(CCHH)	108.2352	2.707	24	108.2352	7.329	24	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CTiCH)(H)3	H(CCHH)	H(CCHH)	C(CTiCH)(H)3	H(CCHH)	H(CCHH)	109.4050	0.076	4	109.4050	0.006	4	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CTiCN)(H)3	H(CCHH)	H(CCHH)	C(CTiCN)(H)3	H(CCHH)	H(CCHH)	109.2271	1.396	26	109.2271	1.948	26	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CTiHH)(H)3	H(CCHH)	H(CCHH)	C(CTiHH)(H)3	H(CCHH)	H(CCHH)	109.5180	0.103	2	109.5180	0.011	2	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CTiNN)(H)3	H(CCHH)	H(CCHH)	C(CTiNN)(H)3	H(CCHH)	H(CCHH)	109.5291	0.322	27	109.5291	0.103	27	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CTiNO)(H)3	H(CCHH)	H(CCHH)	C(CTiNO)(H)3	H(CCHH)	H(CCHH)	109.4360	0.056	6	109.4360	0.003	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CTiOO)(H)3	H(CCHH)	H(CCHH)	C(CTiOO)(H)3	H(CCHH)	H(CCHH)	107.5183	2.000	6	107.5183	4.002	6	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CYbCN)(H)3	H(CCHH)	H(CCHH)	C(CYbCN)(H)3	H(CCHH)	H(CCHH)	109.4429	0.073	23	109.4429	0.005	23	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CZnCC)(H)3	H(CCHH)	H(CCHH)	C(CZnCC)(H)3	H(CCHH)	H(CCHH)	109.2949	1.041	111	109.2949	1.085	111	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CZnCH)(H)3	H(CCHH)	H(CCHH)	C(CZnCH)(H)3	H(CCHH)	H(CCHH)	109.4719	0.035	33	109.4719	0.001	33	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CZnHH)(H)3	H(CCHH)	H(CCHH)	C(CZnHH)(H)3	H(CCHH)	H(CCHH)	109.3810	0.759	427	109.3810	0.576	427	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CZnOO)(H)3	H(CCHH)	H(CCHH)	C(CZnOO)(H)3	H(CCHH)	H(CCHH)	109.4160	0.000	1	109.4160	0.000	1	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CZrCC)(H)3	H(CCHH)	H(CCHH)	C(CZrCC)(H)3	H(CCHH)	H(CCHH)	108.7595	1.560	30	108.7595	2.432	30	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CZrCH)(H)3	H(CCHH)	H(CCHH)	C(CZrCH)(H)3	H(CCHH)	H(CCHH)	107.7190	3.634	3	107.7190	13.202	3	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CZrCN)(H)3	H(CCHH)	H(CCHH)	C(CZrCN)(H)3	H(CCHH)	H(CCHH)	109.4709	0.057	31	109.4709	0.003	31	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CZrHH)(H)3	H(CCHH)	H(CCHH)	C(CZrHH)(H)3	H(CCHH)	H(CCHH)	109.4790	0.000	1	109.4790	0.000	1	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	C-4:	C-4:	C(CZrNN)(H)3	H(CCHH)	H(CCHH)	C(CZrNN)(H)3	H(CCHH)	H(CCHH)	109.4754	0.066	26	109.4754	0.004	26	109.3793	1.397	382235	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CCCH)(H)2(I)	H(CCHI)	H(CCHI)	C(CCCH)(H)2(I)	H(CCHI)	H(CCHI)	107.9150	0.000	1	107.9150	0.000	1	108.0915	0.517	44	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CCHH)(H)2(I)	H(CCHI)	H(CCHI)	C(CCHH)(H)2(I)	H(CCHI)	H(CCHI)	108.0706	0.695	19	108.0706	0.483	19	108.0915	0.517	44	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CCHN)(H)2(I)	H(CCHI)	H(CCHI)	C(CCHN)(H)2(I)	H(CCHI)	H(CCHI)	107.9430	0.000	1	107.9430	0.000	1	108.0915	0.517	44	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CC[5]CH)(H)2(I)	H(CCHI)	H(CCHI)	C(CC[5]CH)(H)2(I)	H(CCHI)	H(CCHI)	107.5420	0.000	1	107.5420	0.000	1	108.0915	0.517	44	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CC[5]HH)(H)2(I)	H(CCHI)	H(CCHI)	C(CC[5]HH)(H)2(I)	H(CCHI)	H(CCHI)	107.7710	0.000	1	107.7710	0.000	1	108.0915	0.517	44	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CC[5]HO)(H)2(I)	H(CCHI)	H(CCHI)	C(CC[5]HO)(H)2(I)	H(CCHI)	H(CCHI)	107.7690	0.400	2	107.7690	0.160	2	108.0915	0.517	44	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CC[5a]HH)(H)2(I)	H(CCHI)	H(CCHI)	C(CC[5a]HH)(H)2(I)	H(CCHI)	H(CCHI)	108.4140	0.000	1	108.4140	0.000	1	108.0915	0.517	44	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CC[6]HH)(H)2(I)	H(CCHI)	H(CCHI)	C(CC[6]HH)(H)2(I)	H(CCHI)	H(CCHI)	107.5910	0.000	1	107.5910	0.000	1	108.0915	0.517	44	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CC[6a]CH)(H)2(I)	H(CCHI)	H(CCHI)	C(CC[6a]CH)(H)2(I)	H(CCHI)	H(CCHI)	107.7740	0.000	1	107.7740	0.000	1	108.0915	0.517	44	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CC[6a]C[6]O)(H)2(I)	H(CCHI)	H(CCHI)	C(CC[6a]C[6]O)(H)2(I)	H(CCHI)	H(CCHI)	107.4310	0.000	1	107.4310	0.000	1	108.0915	0.517	44	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CC[6a]HO)(H)2(I)	H(CCHI)	H(CCHI)	C(CC[6a]HO)(H)2(I)	H(CCHI)	H(CCHI)	107.6725	0.045	2	107.6725	0.002	2	108.0915	0.517	44	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CC[6a]N[5a]H)(H)2(I)	H(CCHI)	H(CCHI)	C(CC[6a]N[5a]H)(H)2(I)	H(CCHI)	H(CCHI)	107.8420	0.000	1	107.8420	0.000	1	108.0915	0.517	44	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CF3)(H)2(I)	H(CCHI)	H(CCHI)	C(CF3)(H)2(I)	H(CCHI)	H(CCHI)	110.2135	1.363	2	110.2135	1.857	2	108.0915	0.517	44	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CH3)(H)2(I)	H(CCHI)	H(CCHI)	C(CH3)(H)2(I)	H(CCHI)	H(CCHI)	108.1255	0.035	2	108.1255	0.001	2	108.0915	0.517	44	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CHHN)(H)2(I)	H(CCHI)	H(CCHI)	C(CHHN)(H)2(I)	H(CCHI)	H(CCHI)	108.1005	0.103	2	108.1005	0.011	2	108.0915	0.517	44	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CHHO)(H)2(I)	H(CCHI)	H(CCHI)	C(CHHO)(H)2(I)	H(CCHI)	H(CCHI)	108.2147	0.316	3	108.2147	0.100	3	108.0915	0.517	44	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CN[5]HH)(H)2(I)	H(CCHI)	H(CCHI)	C(CN[5]HH)(H)2(I)	H(CCHI)	H(CCHI)	107.9170	0.000	1	107.9170	0.000	1	108.0915	0.517	44	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:I-1:	C-4:	C-4:	C(CN[5a]HH)(H)2(I)	H(CCHI)	H(CCHI)	C(CN[5a]HH)(H)2(I)	H(CCHI)	H(CCHI)	108.0700	0.498	2	108.0700	0.248	2	108.0915	0.517	44	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:N-1:	C-4:	C-4:	C(CH3)(H)2(N)	H(CCHN)	H(CCHN)	C(CH3)(H)2(N)	H(CCHN)	H(CCHN)	96.7997	0.000	1	96.7997	0.000	1	107.4333	9.970	14	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:N-1:	C-4:	C-4:	C(CHHN)(H)2(N)	H(CCHN)	H(CCHN)	C(CHHN)(H)2(N)	H(CCHN)	H(CCHN)	108.2512	0.808	13	108.2512	0.653	13	107.4333	9.970	14	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:O-1:	C-4:	C-4:	C(CCCH)(H)2(O)	H(CCHO)	H(CCHO)	C(CCCH)(H)2(O)	H(CCHO)	H(CCHO)	109.0673	1.024	3	109.0673	1.049	3	108.5320	3.249	109	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:O-1:	C-4:	C-4:	C(CCHH)(H)2(O)	H(CCHO)	H(CCHO)	C(CCHH)(H)2(O)	H(CCHO)	H(CCHO)	108.3512	2.031	22	108.3512	4.127	22	108.5320	3.249	109	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:O-1:	C-4:	C-4:	C(CCHN)(H)2(O)	H(CCHO)	H(CCHO)	C(CCHN)(H)2(O)	H(CCHO)	H(CCHO)	107.7690	0.000	1	107.7690	0.000	1	108.5320	3.249	109	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:O-1:	C-4:	C-4:	C(CCHO)(H)2(O)	H(CCHO)	H(CCHO)	C(CCHO)(H)2(O)	H(CCHO)	H(CCHO)	113.2065	0.453	2	113.2065	0.205	2	108.5320	3.249	109	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:O-1:	C-4:	C-4:	C(CC[5]HH)(H)2(O)	H(CCHO)	H(CCHO)	C(CC[5]HH)(H)2(O)	H(CCHO)	H(CCHO)	108.0280	0.000	1	108.0280	0.000	1	108.5320	3.249	109	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:O-1:	C-4:	C-4:	C(CC[6a]HH)(H)2(O)	H(CCHO)	H(CCHO)	C(CC[6a]HH)(H)2(O)	H(CCHO)	H(CCHO)	108.0957	0.444	6	108.0957	0.197	6	108.5320	3.249	109	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:O-1:	C-4:	C-4:	C(CF3)(H)2(O)	H(CCHO)	H(CCHO)	C(CF3)(H)2(O)	H(CCHO)	H(CCHO)	107.5295	0.384	2	107.5295	0.147	2	108.5320	3.249	109	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:O-1:	C-4:	C-4:	C(CH3)(H)2(O)	H(CCHO)	H(CCHO)	C(CH3)(H)2(O)	H(CCHO)	H(CCHO)	108.5523	1.881	59	108.5523	3.539	59	108.5320	3.249	109	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:O-1:	C-4:	C-4:	C(CHHN)(H)2(O)	H(CCHO)	H(CCHO)	C(CHHN)(H)2(O)	H(CCHO)	H(CCHO)	108.3772	0.603	6	108.3772	0.364	6	108.5320	3.249	109	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:O-1:	C-4:	C-4:	C(CHHO)(H)2(O)	H(CCHO)	H(CCHO)	C(CHHO)(H)2(O)	H(CCHO)	H(CCHO)	108.4282	0.962	5	108.4282	0.926	5	108.5320	3.249	109	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:O-1:	C-4:	C-4:	C(CN[5]3)(H)2(O)	H(CCHO)	H(CCHO)	C(CN[5]3)(H)2(O)	H(CCHO)	H(CCHO)	108.4110	0.000	1	108.4110	0.000	1	108.5320	3.249	109	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:O-1:	C-4:	C-4:	C(CN[5]CH)(H)2(O)	H(CCHO)	H(CCHO)	C(CN[5]CH)(H)2(O)	H(CCHO)	H(CCHO)	107.8200	0.000	1	107.8200	0.000	1	108.5320	3.249	109	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:S-1:	C-4:	C-4:	C(CCHH)(H)2(S)	H(CCHS)	H(CCHS)	C(CCHH)(H)2(S)	H(CCHS)	H(CCHS)	110.8420	5.930	4	110.8420	35.167	4	109.1630	15.730	9	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:S-1:	C-4:	C-4:	C(CCHN)(H)2(S)	H(CCHS)	H(CCHS)	C(CCHN)(H)2(S)	H(CCHS)	H(CCHS)	107.7195	0.078	2	107.7195	0.006	2	109.1630	15.730	9	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:S-1:	C-4:	C-4:	C(CHHN)(H)2(S)	H(CCHS)	H(CCHS)	C(CHHN)(H)2(S)	H(CCHS)	H(CCHS)	107.9200	0.013	2	107.9200	0.000	2	109.1630	15.730	9	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:S-1:	C-4:	C-4:	C(CHHS)(H)2(S)	H(CCHS)	H(CCHS)	C(CHHS)(H)2(S)	H(CCHS)	H(CCHS)	107.8200	0.000	1	107.8200	0.000	1	109.1630	15.730	9	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C-4:Se-1:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(Se)(H)2	H(CSeCH)	H(CSeCH)	C(CN[5a]HH)(Se)(H)2	H(CSeCH)	H(CSeCH)	107.9210	0.000	1	107.9210	0.000	1	107.9210	0.000	1	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,3,5,4x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6])(H)3	H(CC[3,3,5,4x6]HH)	H(CC[3,3,5,4x6]HH)	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6])(H)3	H(CC[3,3,5,4x6]HH)	H(CC[3,3,5,4x6]HH)	109.4610	0.040	2	109.4610	0.002	2	109.4610	0.002	2	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,3,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,3,5]C[3,3,4,5]Nb[10x3,4]C[3,3,5])(H)3	H(CC[3,3,5]HH)	H(CC[3,3,5]HH)	C(C[3,3,5]C[3,3,4,5]Nb[10x3,4]C[3,3,5])(H)3	H(CC[3,3,5]HH)	H(CC[3,3,5]HH)	109.4382	0.044	8	109.4382	0.002	8	109.4844	0.184	140	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,3,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,3,5]C[3,3,5]2B[5x3])(H)3	H(CC[3,3,5]HH)	H(CC[3,3,5]HH)	C(C[3,3,5]C[3,3,5]2B[5x3])(H)3	H(CC[3,3,5]HH)	H(CC[3,3,5]HH)	109.4500	0.195	41	109.4500	0.038	41	109.4844	0.184	140	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,3,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,3,5]C[3,3,5]2I[8x3,5])(H)3	H(CC[3,3,5]HH)	H(CC[3,3,5]HH)	C(C[3,3,5]C[3,3,5]2I[8x3,5])(H)3	H(CC[3,3,5]HH)	H(CC[3,3,5]HH)	109.6183	1.252	15	109.6183	1.569	15	109.4844	0.184	140	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,3,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,3,5]C[3,3,5]2Nb[10x3])(H)3	H(CC[3,3,5]HH)	H(CC[3,3,5]HH)	C(C[3,3,5]C[3,3,5]2Nb[10x3])(H)3	H(CC[3,3,5]HH)	H(CC[3,3,5]HH)	109.4877	0.074	9	109.4877	0.005	9	109.4844	0.184	140	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,3,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,3,5]C[3,3,5]2Nb[11x3])(H)3	H(CC[3,3,5]HH)	H(CC[3,3,5]HH)	C(C[3,3,5]C[3,3,5]2Nb[11x3])(H)3	H(CC[3,3,5]HH)	H(CC[3,3,5]HH)	109.5152	0.297	18	109.5152	0.088	18	109.4844	0.184	140	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,3,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,3,5]C[3,3,5]2Nb[15x3])(H)3	H(CC[3,3,5]HH)	H(CC[3,3,5]HH)	C(C[3,3,5]C[3,3,5]2Nb[15x3])(H)3	H(CC[3,3,5]HH)	H(CC[3,3,5]HH)	109.4616	0.052	19	109.4616	0.003	19	109.4844	0.184	140	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,3,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,3,5]Nb[10x3,4]C[3,3,5]2)(H)3	H(CC[3,3,5]HH)	H(CC[3,3,5]HH)	C(C[3,3,5]Nb[10x3,4]C[3,3,5]2)(H)3	H(CC[3,3,5]HH)	H(CC[3,3,5]HH)	109.4715	0.078	12	109.4715	0.006	12	109.4844	0.184	140	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,3,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,3,5]Nb[5x3,5,5]C[3,3,5]2)(H)3	H(CC[3,3,5]HH)	H(CC[3,3,5]HH)	C(C[3,3,5]Nb[5x3,5,5]C[3,3,5]2)(H)3	H(CC[3,3,5]HH)	H(CC[3,3,5]HH)	109.4682	0.065	5	109.4682	0.004	5	109.4844	0.184	140	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,3,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,3,5]Nb[7x3,4]C[3,3,5]2)(H)3	H(CC[3,3,5]HH)	H(CC[3,3,5]HH)	C(C[3,3,5]Nb[7x3,4]C[3,3,5]2)(H)3	H(CC[3,3,5]HH)	H(CC[3,3,5]HH)	109.4766	0.060	10	109.4766	0.004	10	109.4844	0.184	140	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,3,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,3,5]Nb[8x3,5]C[3,3,5]2)(H)3	H(CC[3,3,5]HH)	H(CC[3,3,5]HH)	C(C[3,3,5]Nb[8x3,5]C[3,3,5]2)(H)3	H(CC[3,3,5]HH)	H(CC[3,3,5]HH)	109.4630	0.081	3	109.4630	0.007	3	109.4844	0.184	140	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,3,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(H)3	H(CC[3,3,6]HH)	H(CC[3,3,6]HH)	C(C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(H)3	H(CC[3,3,6]HH)	H(CC[3,3,6]HH)	109.4682	0.045	4	109.4682	0.002	4	109.4682	0.002	4	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,3]Nb[3x3,5]C[3,3]N[3])(H)3	H(CC[3,3]HH)	H(CC[3,3]HH)	C(C[3,3]Nb[3x3,5]C[3,3]N[3])(H)3	H(CC[3,3]HH)	H(CC[3,3]HH)	109.4800	0.040	2	109.4800	0.002	2	109.4761	0.002	14	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,3]Nb[3x3]C[3,3]N[3])(H)3	H(CC[3,3]HH)	H(CC[3,3]HH)	C(C[3,3]Nb[3x3]C[3,3]N[3])(H)3	H(CC[3,3]HH)	H(CC[3,3]HH)	109.4700	0.008	2	109.4700	0.000	2	109.4761	0.002	14	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,3]Nb[4x3,4]C[3,3]C[3,4])(H)3	H(CC[3,3]HH)	H(CC[3,3]HH)	C(C[3,3]Nb[4x3,4]C[3,3]C[3,4])(H)3	H(CC[3,3]HH)	H(CC[3,3]HH)	109.4720	0.040	3	109.4720	0.002	3	109.4761	0.002	14	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,3]Nb[4x3,4]C[3,3]N[3])(H)3	H(CC[3,3]HH)	H(CC[3,3]HH)	C(C[3,3]Nb[4x3,4]C[3,3]N[3])(H)3	H(CC[3,3]HH)	H(CC[3,3]HH)	109.4820	0.013	2	109.4820	0.000	2	109.4761	0.002	14	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,3]Nb[5x3]C[3,3]N[3])(H)3	H(CC[3,3]HH)	H(CC[3,3]HH)	C(C[3,3]Nb[5x3]C[3,3]N[3])(H)3	H(CC[3,3]HH)	H(CC[3,3]HH)	109.4960	0.079	2	109.4960	0.006	2	109.4761	0.002	14	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,3]Nb[6x3]C[3,3]N[3])(H)3	H(CC[3,3]HH)	H(CC[3,3]HH)	C(C[3,3]Nb[6x3]C[3,3]N[3])(H)3	H(CC[3,3]HH)	H(CC[3,3]HH)	109.4643	0.067	3	109.4643	0.004	3	109.4761	0.002	14	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,4,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,4,5,6]C[3,5,5,6,6]C[4,4,5,6,6]C[3,4,5,6])(H)3	H(CC[3,4,5,6]HH)	H(CC[3,4,5,6]HH)	C(C[3,4,5,6]C[3,5,5,6,6]C[4,4,5,6,6]C[3,4,5,6])(H)3	H(CC[3,4,5,6]HH)	H(CC[3,4,5,6]HH)	107.8175	3.076	24	107.8175	9.459	24	107.8175	9.459	24	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,4,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,4,5]C[3,5,6]C[4,5,6]P[3,4,6])(H)3	H(CC[3,4,5]HH)	H(CC[3,4,5]HH)	C(C[3,4,5]C[3,5,6]C[4,5,6]P[3,4,6])(H)3	H(CC[3,4,5]HH)	H(CC[3,4,5]HH)	109.4633	0.058	3	109.4633	0.003	3	109.4633	0.003	3	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,4]C[3,4,6]C[3,6]C[4])(H)3	H(CC[3,4]HH)	H(CC[3,4]HH)	C(C[3,4]C[3,4,6]C[3,6]C[4])(H)3	H(CC[3,4]HH)	H(CC[3,4]HH)	109.4703	0.025	3	109.4703	0.001	3	109.4703	0.001	3	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5,5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5,5,6,6]C[3,5,5,6,6]C[3,4,5,6]2)(H)3	H(CC[3,5,5,6,6]HH)	H(CC[3,5,5,6,6]HH)	C(C[3,5,5,6,6]C[3,5,5,6,6]C[3,4,5,6]2)(H)3	H(CC[3,5,5,6,6]HH)	H(CC[3,5,5,6,6]HH)	107.2803	2.587	12	107.2803	6.690	12	107.2803	6.690	12	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5,5,6]C[3,5,5,6]C[3,5,5]C[3x5,6])(H)3	H(CC[3,5,5,6]HH)	H(CC[3,5,5,6]HH)	C(C[3,5,5,6]C[3,5,5,6]C[3,5,5]C[3x5,6])(H)3	H(CC[3,5,5,6]HH)	H(CC[3,5,5,6]HH)	109.4820	0.027	3	109.4820	0.001	3	109.4655	0.001	6	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5,5,6]C[3,5,5,6]C[3x5,6]P[3,5,5])(H)3	H(CC[3,5,5,6]HH)	H(CC[3,5,5,6]HH)	C(C[3,5,5,6]C[3,5,5,6]C[3x5,6]P[3,5,5])(H)3	H(CC[3,5,5,6]HH)	H(CC[3,5,5,6]HH)	109.4490	0.031	3	109.4490	0.001	3	109.4655	0.001	6	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5,5]C[3,5,5]2C[5,5])(H)3	H(CC[3,5,5]HH)	H(CC[3,5,5]HH)	C(C[3,5,5]C[3,5,5]2C[5,5])(H)3	H(CC[3,5,5]HH)	H(CC[3,5,5]HH)	109.4085	0.011	2	109.4085	0.000	2	108.2481	5.773	7	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5,5]C[3,5]2C[5,5])(H)3	H(CC[3,5,5]HH)	H(CC[3,5,5]HH)	C(C[3,5,5]C[3,5]2C[5,5])(H)3	H(CC[3,5,5]HH)	H(CC[3,5,5]HH)	106.6813	3.298	3	106.6813	10.874	3	108.2481	5.773	7	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5,5]C[3,5]C[5,5]P[3,5])(H)3	H(CC[3,5,5]HH)	H(CC[3,5,5]HH)	C(C[3,5,5]C[3,5]C[5,5]P[3,5])(H)3	H(CC[3,5,5]HH)	H(CC[3,5,5]HH)	109.4380	0.057	2	109.4380	0.003	2	108.2481	5.773	7	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]C[3,6,6])(H)3	H(CC[3,5,6,6]HH)	H(CC[3,5,6,6]HH)	C(C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]C[3,6,6])(H)3	H(CC[3,5,6,6]HH)	H(CC[3,5,6,6]HH)	109.4420	0.010	3	109.4420	0.000	3	109.4420	0.000	3	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5,6]C[3,4,5]P[3,4,6]C[5,6])(H)3	H(CC[3,5,6]HH)	H(CC[3,5,6]HH)	C(C[3,5,6]C[3,4,5]P[3,4,6]C[5,6])(H)3	H(CC[3,5,6]HH)	H(CC[3,5,6]HH)	109.5210	0.037	2	109.5210	0.001	2	109.4295	0.067	39	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5,6]C[3,5,6]C[3,6,6]C[5,6])(H)3	H(CC[3,5,6]HH)	H(CC[3,5,6]HH)	C(C[3,5,6]C[3,5,6]C[3,6,6]C[5,6])(H)3	H(CC[3,5,6]HH)	H(CC[3,5,6]HH)	109.4688	0.033	11	109.4688	0.001	11	109.4295	0.067	39	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5,6]C[3,5,6]C[5,5,6]C[3])(H)3	H(CC[3,5,6]HH)	H(CC[3,5,6]HH)	C(C[3,5,6]C[3,5,6]C[5,5,6]C[3])(H)3	H(CC[3,5,6]HH)	H(CC[3,5,6]HH)	109.4633	0.048	3	109.4633	0.002	3	109.4295	0.067	39	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5,6]C[3,5,6]C[5,5,6]O[3])(H)3	H(CC[3,5,6]HH)	H(CC[3,5,6]HH)	C(C[3,5,6]C[3,5,6]C[5,5,6]O[3])(H)3	H(CC[3,5,6]HH)	H(CC[3,5,6]HH)	109.4627	0.078	14	109.4627	0.006	14	109.4295	0.067	39	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5,6]C[3,5]C[3,6]C[5,6])(H)3	H(CC[3,5,6]HH)	H(CC[3,5,6]HH)	C(C[3,5,6]C[3,5]C[3,6]C[5,6])(H)3	H(CC[3,5,6]HH)	H(CC[3,5,6]HH)	108.9923	0.954	3	108.9923	0.910	3	109.4295	0.067	39	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5,6]C[3,6,6]N[3,5,6]C[5,6])(H)3	H(CC[3,5,6]HH)	H(CC[3,5,6]HH)	C(C[3,5,6]C[3,6,6]N[3,5,6]C[5,6])(H)3	H(CC[3,5,6]HH)	H(CC[3,5,6]HH)	109.4740	0.020	2	109.4740	0.000	2	109.4295	0.067	39	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5,6]C[3x5,6,6]B[3x3,5]C[3,3,6])(H)3	H(CC[3,5,6]HH)	H(CC[3,5,6]HH)	C(C[3,5,6]C[3x5,6,6]B[3x3,5]C[3,3,6])(H)3	H(CC[3,5,6]HH)	H(CC[3,5,6]HH)	109.4398	0.050	4	109.4398	0.002	4	109.4295	0.067	39	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5,5]C[3,5]C[5])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	C(C[3,5]C[3,5,5]C[3,5]C[5])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	109.0686	1.802	12	109.0686	3.249	12	109.3804	1.929	174	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5,5]P[3,5]C[5])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	C(C[3,5]C[3,5,5]P[3,5]C[5])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	109.4703	0.020	3	109.4703	0.000	3	109.3804	1.929	174	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5,6]C[3,6]C[5])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	C(C[3,5]C[3,5,6]C[3,6]C[5])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	109.5137	0.046	3	109.5137	0.002	3	109.3804	1.929	174	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5,6]C[5]O[3])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	C(C[3,5]C[3,5,6]C[5]O[3])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	109.4840	0.009	3	109.4840	0.000	3	109.3804	1.929	174	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5]C[3]C[5])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	C(C[3,5]C[3,5]C[3]C[5])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	109.1690	2.393	51	109.1690	5.726	51	109.3804	1.929	174	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5]C[3]N[5])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	C(C[3,5]C[3,5]C[3]N[5])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	109.4601	0.041	7	109.4601	0.002	7	109.3804	1.929	174	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5]C[3]O[5])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	C(C[3,5]C[3,5]C[3]O[5])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	109.4716	0.042	5	109.4716	0.002	5	109.3804	1.929	174	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5]C[5,5]C[3])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	C(C[3,5]C[3,5]C[5,5]C[3])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	109.4826	0.037	12	109.4826	0.001	12	109.3804	1.929	174	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5]C[5,5]O[3])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	C(C[3,5]C[3,5]C[5,5]O[3])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	109.4709	0.035	7	109.4709	0.001	7	109.3804	1.929	174	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5]C[5,6]O[3])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	C(C[3,5]C[3,5]C[5,6]O[3])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	109.4680	0.049	5	109.4680	0.002	5	109.3804	1.929	174	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5]C[5]O[3])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	C(C[3,5]C[3,5]C[5]O[3])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	109.5547	0.355	49	109.5547	0.126	49	109.3804	1.929	174	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5]Ga[3]C[5])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	C(C[3,5]C[3,5]Ga[3]C[5])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	109.5015	0.059	2	109.5015	0.003	2	109.3804	1.929	174	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5]In[3]C[5])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	C(C[3,5]C[3,5]In[3]C[5])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	109.4616	0.112	9	109.4616	0.012	9	109.3804	1.929	174	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[5,5]N[3,5]C[3])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	C(C[3,5]C[5,5]N[3,5]C[3])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	109.4717	0.035	3	109.4717	0.001	3	109.3804	1.929	174	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,5]Nb[3x3,5]C[5,5,6]C[3,3])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	C(C[3,5]Nb[3x3,5]C[5,5,6]C[3,3])(H)3	H(CC[3,5]HH)	H(CC[3,5]HH)	109.5287	0.051	3	109.5287	0.003	3	109.3804	1.929	174	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,6,6]C[3,5,6]2C[6,6])(H)3	H(CC[3,6,6]HH)	H(CC[3,6,6]HH)	C(C[3,6,6]C[3,5,6]2C[6,6])(H)3	H(CC[3,6,6]HH)	H(CC[3,6,6]HH)	109.4657	0.089	3	109.4657	0.008	3	109.4613	0.003	30	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,6,6]C[3,6,6]C[3x6]O[3])(H)3	H(CC[3,6,6]HH)	H(CC[3,6,6]HH)	C(C[3,6,6]C[3,6,6]C[3x6]O[3])(H)3	H(CC[3,6,6]HH)	H(CC[3,6,6]HH)	109.4702	0.050	14	109.4702	0.002	14	109.4613	0.003	30	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,6,6]C[3,6,6]C[4,6,6]C[3])(H)3	H(CC[3,6,6]HH)	H(CC[3,6,6]HH)	C(C[3,6,6]C[3,6,6]C[4,6,6]C[3])(H)3	H(CC[3,6,6]HH)	H(CC[3,6,6]HH)	109.4508	0.050	13	109.4508	0.002	13	109.4613	0.003	30	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,6]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[6]O[3])(Br)(H)2	H(CC[3,6]BrH)	H(CC[3,6]BrH)	C(C[3,6]C[3,6]C[6]O[3])(Br)(H)2	H(CC[3,6]BrH)	H(CC[3,6]BrH)	108.1200	0.000	1	108.1200	0.000	1	108.1200	0.000	1	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,5,6]C[6,6]O[3])(H)3	H(CC[3,6]HH)	H(CC[3,6]HH)	C(C[3,6]C[3,5,6]C[6,6]O[3])(H)3	H(CC[3,6]HH)	H(CC[3,6]HH)	109.4690	0.037	2	109.4690	0.001	2	109.1759	7.263	271	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,5,6]C[6]O[3])(H)3	H(CC[3,6]HH)	H(CC[3,6]HH)	C(C[3,6]C[3,5,6]C[6]O[3])(H)3	H(CC[3,6]HH)	H(CC[3,6]HH)	109.4685	0.005	2	109.4685	0.000	2	109.1759	7.263	271	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6,6]C[3,6]C[6])(H)3	H(CC[3,6]HH)	H(CC[3,6]HH)	C(C[3,6]C[3,6,6]C[3,6]C[6])(H)3	H(CC[3,6]HH)	H(CC[3,6]HH)	108.0650	2.616	6	108.0650	6.842	6	109.1759	7.263	271	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6,6]C[6]O[3])(H)3	H(CC[3,6]HH)	H(CC[3,6]HH)	C(C[3,6]C[3,6,6]C[6]O[3])(H)3	H(CC[3,6]HH)	H(CC[3,6]HH)	109.4674	0.042	5	109.4674	0.002	5	109.1759	7.263	271	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[3]C[6])(H)3	H(CC[3,6]HH)	H(CC[3,6]HH)	C(C[3,6]C[3,6]C[3]C[6])(H)3	H(CC[3,6]HH)	H(CC[3,6]HH)	109.0474	1.967	107	109.0474	3.870	107	109.1759	7.263	271	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[3]O[6])(H)3	H(CC[3,6]HH)	H(CC[3,6]HH)	C(C[3,6]C[3,6]C[3]O[6])(H)3	H(CC[3,6]HH)	H(CC[3,6]HH)	109.4727	0.020	3	109.4727	0.000	3	109.1759	7.263	271	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[3]S[6])(H)3	H(CC[3,6]HH)	H(CC[3,6]HH)	C(C[3,6]C[3,6]C[3]S[6])(H)3	H(CC[3,6]HH)	H(CC[3,6]HH)	109.4440	0.011	2	109.4440	0.000	2	109.1759	7.263	271	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[5,6]O[3])(H)3	H(CC[3,6]HH)	H(CC[3,6]HH)	C(C[3,6]C[3,6]C[5,6]O[3])(H)3	H(CC[3,6]HH)	H(CC[3,6]HH)	109.5390	1.219	3	109.5390	1.486	3	109.1759	7.263	271	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[6,6]C[3])(H)3	H(CC[3,6]HH)	H(CC[3,6]HH)	C(C[3,6]C[3,6]C[6,6]C[3])(H)3	H(CC[3,6]HH)	H(CC[3,6]HH)	109.4320	0.054	2	109.4320	0.003	2	109.1759	7.263	271	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[6,6]O[3])(H)3	H(CC[3,6]HH)	H(CC[3,6]HH)	C(C[3,6]C[3,6]C[6,6]O[3])(H)3	H(CC[3,6]HH)	H(CC[3,6]HH)	108.8705	1.098	11	108.8705	1.206	11	109.1759	7.263	271	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[6]N[3])(H)3	H(CC[3,6]HH)	H(CC[3,6]HH)	C(C[3,6]C[3,6]C[6]N[3])(H)3	H(CC[3,6]HH)	H(CC[3,6]HH)	109.4628	0.044	23	109.4628	0.002	23	109.1759	7.263	271	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[6]O[3])(H)3	H(CC[3,6]HH)	H(CC[3,6]HH)	C(C[3,6]C[3,6]C[6]O[3])(H)3	H(CC[3,6]HH)	H(CC[3,6]HH)	109.2821	3.817	103	109.2821	14.572	103	109.1759	7.263	271	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[5,6,6]C[3,6]C[3])(H)3	H(CC[3,6]HH)	H(CC[3,6]HH)	C(C[3,6]C[5,6,6]C[3,6]C[3])(H)3	H(CC[3,6]HH)	H(CC[3,6]HH)	109.4700	0.066	2	109.4700	0.004	2	109.1759	7.263	271	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3,6]-4:H-1:H-1:O-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[6]O[3])(H)2(O)	H(CC[3,6]HO)	H(CC[3,6]HO)	C(C[3,6]C[3,6]C[6]O[3])(H)2(O)	H(CC[3,6]HO)	H(CC[3,6]HO)	99.7964	2.471	4	99.7964	6.104	4	99.7964	6.104	4	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,6,6]2H)(Cl)(H)2	H(CC[3]ClH)	H(CC[3]ClH)	C(C[3]C[3,6,6]2H)(Cl)(H)2	H(CC[3]ClH)	H(CC[3]ClH)	107.9170	0.000	1	107.9170	0.000	1	107.9310	0.017	3	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,6]2H)(Cl)(H)2	H(CC[3]ClH)	H(CC[3]ClH)	C(C[3]C[3,6]2H)(Cl)(H)2	H(CC[3]ClH)	H(CC[3]ClH)	108.0670	0.000	1	108.0670	0.000	1	107.9310	0.017	3	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]N[3]H)(Cl)(H)2	H(CC[3]ClH)	H(CC[3]ClH)	C(C[3]C[3]N[3]H)(Cl)(H)2	H(CC[3]ClH)	H(CC[3]ClH)	107.8090	0.000	1	107.8090	0.000	1	107.9310	0.017	3	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:F-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,5]C[6a]C[3])(F)(H)2	H(CC[3]FH)	H(CC[3]FH)	C(C[3]C[3,5]C[6a]C[3])(F)(H)2	H(CC[3]FH)	H(CC[3]FH)	108.0550	0.000	1	108.0550	0.000	1	108.1027	0.002	3	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:F-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[6a]C[3]2)(F)(H)2	H(CC[3]FH)	H(CC[3]FH)	C(C[3]C[6a]C[3]2)(F)(H)2	H(CC[3]FH)	H(CC[3]FH)	108.1265	0.005	2	108.1265	0.000	2	108.1027	0.002	3	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,5,6]C[3,5]C)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3,5,6]C[3,5]C)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4913	0.034	3	109.4913	0.001	3	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,5,6]C[3,6]C)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3,5,6]C[3,6]C)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.5087	0.036	6	109.5087	0.001	6	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,5]2C)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3,5]2C)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.1273	1.297	34	109.1273	1.683	34	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,5]2C[6a])(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3,5]2C[6a])(H)3	H(CC[3]HH)	H(CC[3]HH)	109.5125	0.057	4	109.5125	0.003	4	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,5]2H)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3,5]2H)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4746	0.050	20	109.4746	0.002	20	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,5]C[3]H)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3,5]C[3]H)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4201	0.073	9	109.4201	0.005	9	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,5]C[3]N)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3,5]C[3]N)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4867	0.036	3	109.4867	0.001	3	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,5]C[6a]O[3])(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3,5]C[6a]O[3])(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4880	0.051	2	109.4880	0.003	2	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,5]O[3]C)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3,5]O[3]C)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4768	0.050	20	109.4768	0.002	20	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,6,6]O[3]H)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3,6,6]O[3]H)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4790	0.044	7	109.4790	0.002	7	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,6]2C)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3,6]2C)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.3572	1.355	104	109.3572	1.837	104	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,6]2C[6a])(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3,6]2C[6a])(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4610	0.041	3	109.4610	0.002	3	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,6]2H)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3,6]2H)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4782	0.022	6	109.4782	0.001	6	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,6]C[3]C)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3,6]C[3]C)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4725	0.050	100	109.4725	0.003	100	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,6]N[3,6]H)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3,6]N[3,6]H)(H)3	H(CC[3]HH)	H(CC[3]HH)	108.7950	0.998	3	108.7950	0.996	3	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,6]O[3]C)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3,6]O[3]C)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.3108	0.674	26	109.3108	0.455	26	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,6]O[3]H)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3,6]O[3]H)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4727	0.049	9	109.4727	0.002	9	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2C)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3]2C)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4219	0.805	487	109.4219	0.648	487	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2C[5])(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3]2C[5])(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4549	0.055	9	109.4549	0.003	9	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2C[6])(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3]2C[6])(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4527	0.014	3	109.4527	0.000	3	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3]2H)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.3519	0.714	72	109.3519	0.509	72	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2O)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3]2O)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4570	0.031	6	109.4570	0.001	6	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2S)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3]2S)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4863	0.029	3	109.4863	0.001	3	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]C[5]O[3])(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3]C[5]O[3])(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4756	0.052	7	109.4756	0.003	7	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]C[6]N[3])(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3]C[6]N[3])(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4728	0.035	6	109.4728	0.001	6	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]C[6]O[3])(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3]C[6]O[3])(H)3	H(CC[3]HH)	H(CC[3]HH)	109.1947	4.120	23	109.1947	16.973	23	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]N[3]C)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3]N[3]C)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4683	0.058	109	109.4683	0.003	109	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]N[3]H)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3]N[3]H)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4675	0.047	26	109.4675	0.002	26	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]C)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3]O[3]C)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.5011	0.358	316	109.5011	0.128	316	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3]O[3]H)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.3706	0.513	43	109.3706	0.263	43	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]N)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3]O[3]N)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.5257	0.114	3	109.5257	0.013	3	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]S[3]H)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3]S[3]H)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4677	0.021	6	109.4677	0.000	6	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[6,6]C[3]2)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[6,6]C[3]2)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4765	0.073	4	109.4765	0.005	4	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[6a]C[3]2)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[6a]C[3]2)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.5308	0.407	65	109.5308	0.166	65	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[6a]C[3]N[3])(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[6a]C[3]N[3])(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4707	0.013	3	109.4707	0.000	3	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[6a]C[3]O[3])(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[6a]C[3]O[3])(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4824	0.027	7	109.4824	0.001	7	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]Nb[3,6]N[3]C)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]Nb[3,6]N[3]C)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4684	0.043	5	109.4684	0.002	5	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]O[3]P[3]H)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]O[3]P[3]H)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4649	0.041	9	109.4649	0.002	9	109.4332	0.672	1571	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[3]C[6a]C[3]O[3])(H)2(I)	H(CC[3]HI)	H(CC[3]HI)	C(C[3]C[6a]C[3]O[3])(H)2(I)	H(CC[3]HI)	H(CC[3]HI)	108.0920	0.000	1	108.0920	0.000	1	108.0920	0.000	1	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x4,3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x4,3x6]C[3x4,3x6]3)(H)3	H(CC[3x4,3x6]HH)	H(CC[3x4,3x6]HH)	C(C[3x4,3x6]C[3x4,3x6]3)(H)3	H(CC[3x4,3x6]HH)	H(CC[3x4,3x6]HH)	107.5868	1.504	6	107.5868	2.262	6	107.5868	2.262	6	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C[3x5,6])(H)3	H(CC[3x5,6,6]HH)	H(CC[3x5,6,6]HH)	C(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C[3x5,6])(H)3	H(CC[3x5,6,6]HH)	H(CC[3x5,6,6]HH)	109.5074	0.057	5	109.5074	0.003	5	109.5074	0.003	5	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x5,6]C[3x5,6,6]C[3x5,6]C[5,5])(H)3	H(CC[3x5,6]HH)	H(CC[3x5,6]HH)	C(C[3x5,6]C[3x5,6,6]C[3x5,6]C[5,5])(H)3	H(CC[3x5,6]HH)	H(CC[3x5,6]HH)	109.4670	0.046	3	109.4670	0.002	3	108.9999	2.631	42	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x5,6]C[4,3x5]C[5,5,6]C[5,6])(H)3	H(CC[3x5,6]HH)	H(CC[3x5,6]HH)	C(C[3x5,6]C[4,3x5]C[5,5,6]C[5,6])(H)3	H(CC[3x5,6]HH)	H(CC[3x5,6]HH)	109.4573	0.043	3	109.4573	0.002	3	108.9999	2.631	42	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x5,6]C[4,3x5]P[5,5,6]C[5,6])(H)3	H(CC[3x5,6]HH)	H(CC[3x5,6]HH)	C(C[3x5,6]C[4,3x5]P[5,5,6]C[5,6])(H)3	H(CC[3x5,6]HH)	H(CC[3x5,6]HH)	109.4790	0.020	3	109.4790	0.000	3	108.9999	2.631	42	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x5,6]C[5,5,6,6]C[3x5,6]C[5,5,6])(H)3	H(CC[3x5,6]HH)	H(CC[3x5,6]HH)	C(C[3x5,6]C[5,5,6,6]C[3x5,6]C[5,5,6])(H)3	H(CC[3x5,6]HH)	H(CC[3x5,6]HH)	109.5120	0.069	2	109.5120	0.005	2	108.9999	2.631	42	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x5,6]C[5,5,6]2C[5,5])(H)3	H(CC[3x5,6]HH)	H(CC[3x5,6]HH)	C(C[3x5,6]C[5,5,6]2C[5,5])(H)3	H(CC[3x5,6]HH)	H(CC[3x5,6]HH)	108.7027	2.064	25	108.7027	4.258	25	108.9999	2.631	42	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C[5,6])(H)3	H(CC[3x5,6]HH)	H(CC[3x5,6]HH)	C(C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C[5,6])(H)3	H(CC[3x5,6]HH)	H(CC[3x5,6]HH)	109.3653	0.174	6	109.3653	0.030	6	108.9999	2.631	42	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x5]C[3,5,5]C[5,5]2)(H)3	H(CC[3x5]HH)	H(CC[3x5]HH)	C(C[3x5]C[3,5,5]C[5,5]2)(H)3	H(CC[3x5]HH)	H(CC[3x5]HH)	108.6482	1.249	6	108.6482	1.559	6	109.3132	0.673	64	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x5]C[5,5]3)(H)3	H(CC[3x5]HH)	H(CC[3x5]HH)	C(C[3x5]C[5,5]3)(H)3	H(CC[3x5]HH)	H(CC[3x5]HH)	109.3820	0.746	58	109.3820	0.556	58	109.3132	0.673	64	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[5,6,6]C[6,6]2)(Br)(H)2	H(CC[3x6]BrH)	H(CC[3x6]BrH)	C(C[3x6]C[5,6,6]C[6,6]2)(Br)(H)2	H(CC[3x6]BrH)	H(CC[3x6]BrH)	107.8670	0.000	1	107.8670	0.000	1	107.8670	0.000	1	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[3x6]2C[6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[3x6]2C[6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4875	0.073	11	109.4875	0.005	11	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[3x6]C[4x6]C[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[3x6]C[4x6]C[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4923	0.026	9	109.4923	0.001	9	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[3x6]C[4x6]C[6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[3x6]C[4x6]C[6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4742	0.057	10	109.4742	0.003	10	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[3x6]C[6,6]2)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[3x6]C[6,6]2)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.3087	0.622	39	109.3087	0.387	39	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[3x6]C[6,6]C[6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[3x6]C[6,6]C[6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4415	0.028	4	109.4415	0.001	4	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[3x6]N[6,6]2)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[3x6]N[6,6]2)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4690	0.022	5	109.4690	0.000	5	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[4,6,6]C[3x6]C[6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[4,6,6]C[3x6]C[6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4752	0.048	5	109.4752	0.002	5	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[4,6,6]C[3x6]O[6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[4,6,6]C[3x6]O[6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.5631	0.210	11	109.5631	0.044	11	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[4,6,6]C[3x6]S[6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[4,6,6]C[3x6]S[6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	106.5210	5.354	3	106.5210	28.663	3	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[4x6]2H)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[4x6]2H)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4575	0.013	2	109.4575	0.000	2	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[4x6]C[5,6]C[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[4x6]C[5,6]C[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4765	0.022	2	109.4765	0.000	2	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[4x6]C[6,6]2)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[4x6]C[6,6]2)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4780	0.052	3	109.4780	0.003	3	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[4x6]C[6,6]C[6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[4x6]C[6,6]C[6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	107.6697	3.230	3	107.6697	10.435	3	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[4x6]N[6,6]C[6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[4x6]N[6,6]C[6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	107.9200	1.147	3	107.9200	1.315	3	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[5,3x6]C[4x6]C[5,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[5,3x6]C[4x6]C[5,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4510	0.025	3	109.4510	0.001	3	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[5,4x6]C[3x6]C[6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[5,4x6]C[3x6]C[6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4610	0.010	2	109.4610	0.000	2	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[5,5,6,6]C[4x6]C[6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[5,5,6,6]C[4x6]C[6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4743	0.070	6	109.4743	0.005	6	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[5,5,6,6]C[6,6]2)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[5,5,6,6]C[6,6]2)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4610	0.028	6	109.4610	0.001	6	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[5,6,6]2C[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[5,6,6]2C[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.1935	0.605	16	109.1935	0.366	16	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[5,6,6]3)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[5,6,6]3)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.5100	0.064	3	109.5100	0.004	3	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[5,6,6]C[6,6]2)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[5,6,6]C[6,6]2)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	108.6350	1.528	22	108.6350	2.335	22	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[5,6,6]C[6,6]N[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[5,6,6]C[6,6]N[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4665	0.005	2	109.4665	0.000	2	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[5,6,6]N[6,6]2)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[5,6,6]N[6,6]2)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4622	0.036	6	109.4622	0.001	6	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[5x3,5x5,22x6]C[6,6]2)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[5x3,5x5,22x6]C[6,6]2)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4663	0.019	3	109.4663	0.000	3	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6,6a]2C[3x6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[6,6,6a]2C[3x6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4287	1.304	12	109.4287	1.701	12	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6,6a]2C[5,6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[6,6,6a]2C[5,6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4632	0.026	5	109.4632	0.001	5	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6,6a]2C[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[6,6,6a]2C[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4687	0.069	34	109.4687	0.005	34	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6,6a]2N[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[6,6,6a]2N[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	108.4600	1.593	3	108.4600	2.539	3	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6,6a]2O[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[6,6,6a]2O[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4232	0.951	9	109.4232	0.905	9	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6,6a]3)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[6,6,6a]3)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.0382	1.395	83	109.0382	1.945	83	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4795	0.049	25	109.4795	0.002	25	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6,6a]C[6,6]N[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[6,6,6a]C[6,6]N[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4650	0.000	1	109.4650	0.000	1	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6,6a]C[6,6]O[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[6,6,6a]C[6,6]O[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4555	0.024	4	109.4555	0.001	4	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]2N[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[6,6]2N[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.3611	1.102	53	109.3611	1.215	53	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]2O[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[6,6]2O[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4352	2.292	33	109.4352	5.253	33	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]2S[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[6,6]2S[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4612	0.043	5	109.4612	0.002	5	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]3)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[6,6]3)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.1762	1.616	313	109.1762	2.611	313	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]N[6,6]2)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[6,6]N[6,6]2)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4694	0.033	26	109.4694	0.001	26	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]N[6,6]S[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[6,6]N[6,6]S[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4678	0.053	13	109.4678	0.003	13	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]O[6,6]2)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[6,6]O[6,6]2)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4706	0.042	166	109.4706	0.002	166	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4709	0.043	173	109.4709	0.002	173	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6a]C[4x6]C[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]C[6,6a]C[4x6]C[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4915	0.037	4	109.4915	0.001	4	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]N[3,6,6]C[6,6]2)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]N[3,6,6]C[6,6]2)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	107.7927	11.514	6	107.7927	132.581	6	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]N[5a,6,6]C[5,6,6]C[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]N[5a,6,6]C[5,6,6]C[6,6])(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4080	2.130	6	109.4080	4.535	6	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]O[6,6]3)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]O[6,6]3)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.4757	0.053	19	109.4757	0.003	19	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x6]P[4,6,6]P[6,6]2)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	C(C[3x6]P[4,6,6]P[6,6]2)(H)3	H(CC[3x6]HH)	H(CC[3x6]HH)	109.5150	0.018	3	109.5150	0.000	3	109.3039	1.844	1175	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,3x5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,3x5]C[4,5,5,6]C[3x5,6]P[4,5])(H)3	H(CC[4,3x5]HH)	H(CC[4,3x5]HH)	C(C[4,3x5]C[4,5,5,6]C[3x5,6]P[4,5])(H)3	H(CC[4,3x5]HH)	H(CC[4,3x5]HH)	109.4386	0.085	5	109.4386	0.007	5	109.4386	0.007	5	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,3x6]C[4,3x6]C[4,6]C[4x6])(H)3	H(CC[4,3x6]HH)	H(CC[4,3x6]HH)	C(C[4,3x6]C[4,3x6]C[4,6]C[4x6])(H)3	H(CC[4,3x6]HH)	H(CC[4,3x6]HH)	109.4933	0.022	3	109.4933	0.000	3	109.2027	0.155	8	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,3x6]C[4,4,6,6]C[3x6]C[4,6])(H)3	H(CC[4,3x6]HH)	H(CC[4,3x6]HH)	C(C[4,3x6]C[4,4,6,6]C[3x6]C[4,6])(H)3	H(CC[4,3x6]HH)	H(CC[4,3x6]HH)	108.7430	0.187	3	108.7430	0.035	3	109.2027	0.155	8	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,3x6]C[4,6,6]C[3x6]C[4,6])(H)3	H(CC[4,3x6]HH)	H(CC[4,3x6]HH)	C(C[4,3x6]C[4,6,6]C[3x6]C[4,6])(H)3	H(CC[4,3x6]HH)	H(CC[4,3x6]HH)	109.4565	0.036	2	109.4565	0.001	2	109.2027	0.155	8	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,4,5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,4,5,5]C[4,4,5,5]C[4,3x5]C[4,5])(H)3	H(CC[4,4,5,5]HH)	H(CC[4,4,5,5]HH)	C(C[4,4,5,5]C[4,4,5,5]C[4,3x5]C[4,5])(H)3	H(CC[4,4,5,5]HH)	H(CC[4,4,5,5]HH)	109.4923	0.107	3	109.4923	0.011	3	109.4775	0.005	8	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,4,5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,4,5,5]C[4,5,5,6]2P[3,4,4])(H)3	H(CC[4,4,5,5]HH)	H(CC[4,4,5,5]HH)	C(C[4,4,5,5]C[4,5,5,6]2P[3,4,4])(H)3	H(CC[4,4,5,5]HH)	H(CC[4,4,5,5]HH)	109.4686	0.054	5	109.4686	0.003	5	109.4775	0.005	8	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,4,5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,4,5,6,6]C[4,4,5,6,6]C[3,4,5,6]2)(H)3	H(CC[4,4,5,6,6]HH)	H(CC[4,4,5,6,6]HH)	C(C[4,4,5,6,6]C[4,4,5,6,6]C[3,4,5,6]2)(H)3	H(CC[4,4,5,6,6]HH)	H(CC[4,4,5,6,6]HH)	108.0678	2.673	12	108.0678	7.143	12	108.0678	7.143	12	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,4]C[4,4,6]C[4]2)(H)3	H(CC[4,4]HH)	H(CC[4,4]HH)	C(C[4,4]C[4,4,6]C[4]2)(H)3	H(CC[4,4]HH)	H(CC[4,4]HH)	109.4670	0.000	1	109.4670	0.000	1	109.2959	39.946	12	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,4]C[4,4]C[4]2)(H)3	H(CC[4,4]HH)	H(CC[4,4]HH)	C(C[4,4]C[4,4]C[4]2)(H)3	H(CC[4,4]HH)	H(CC[4,4]HH)	109.4696	0.020	5	109.4696	0.000	5	109.2959	39.946	12	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,4]C[4,4]N[4]2)(H)3	H(CC[4,4]HH)	H(CC[4,4]HH)	C(C[4,4]C[4,4]N[4]2)(H)3	H(CC[4,4]HH)	H(CC[4,4]HH)	109.1226	9.371	6	109.1226	87.809	6	109.2959	39.946	12	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5,5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5,5,6,6]C[4,4x5,6]C[4,5,5,6]C[5,6,6])(H)3	H(CC[4,5,5,6,6]HH)	H(CC[4,5,5,6,6]HH)	C(C[4,5,5,6,6]C[4,4x5,6]C[4,5,5,6]C[5,6,6])(H)3	H(CC[4,5,5,6,6]HH)	H(CC[4,5,5,6,6]HH)	109.4790	0.010	2	109.4790	0.000	2	109.4329	0.007	7	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5,5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5,5,6,6]P[4,5,5,6,6]C[5,5,6,6]C[4,5,6])(H)3	H(CC[4,5,5,6,6]HH)	H(CC[4,5,5,6,6]HH)	C(C[4,5,5,6,6]P[4,5,5,6,6]C[5,5,6,6]C[4,5,6])(H)3	H(CC[4,5,5,6,6]HH)	H(CC[4,5,5,6,6]HH)	109.4144	0.096	5	109.4144	0.009	5	109.4329	0.007	7	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5,5,6]C[3,4,5,6]C[4,4,5,5]C[5,6])(H)3	H(CC[4,5,5,6]HH)	H(CC[4,5,5,6]HH)	C(C[4,5,5,6]C[3,4,5,6]C[4,4,5,5]C[5,6])(H)3	H(CC[4,5,5,6]HH)	H(CC[4,5,5,6]HH)	109.4577	0.068	10	109.4577	0.005	10	109.1457	0.900	18	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5,5,6]C[4,4,5,6,6]C[4,5,4x6]C[5,5])(H)3	H(CC[4,5,5,6]HH)	H(CC[4,5,5,6]HH)	C(C[4,5,5,6]C[4,4,5,6,6]C[4,5,4x6]C[5,5])(H)3	H(CC[4,5,5,6]HH)	H(CC[4,5,5,6]HH)	107.5720	1.780	3	107.5720	3.167	3	109.1457	0.900	18	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5,5,6]C[4,4,5,6,6]C[4,5,5,3x6]C[5,5])(H)3	H(CC[4,5,5,6]HH)	H(CC[4,5,5,6]HH)	C(C[4,5,5,6]C[4,4,5,6,6]C[4,5,5,3x6]C[5,5])(H)3	H(CC[4,5,5,6]HH)	H(CC[4,5,5,6]HH)	109.4660	0.018	3	109.4660	0.000	3	109.1457	0.900	18	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5,5,6]C[4,5,5,6]C[4,3x5]C[5,6])(H)3	H(CC[4,5,5,6]HH)	H(CC[4,5,5,6]HH)	C(C[4,5,5,6]C[4,5,5,6]C[4,3x5]C[5,6])(H)3	H(CC[4,5,5,6]HH)	H(CC[4,5,5,6]HH)	109.4655	0.081	2	109.4655	0.007	2	109.1457	0.900	18	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5,5]-4:F-1:H-1:H-1:	C-4:	C-4:	C(C[4,5,5]C[4,5]2N[5,5])(F)(H)2	H(CC[4,5,5]FH)	H(CC[4,5,5]FH)	C(C[4,5,5]C[4,5]2N[5,5])(F)(H)2	H(CC[4,5,5]FH)	H(CC[4,5,5]FH)	108.2100	0.000	1	108.2100	0.000	1	108.2100	0.000	1	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5,5]C[4,5]2C[5,5])(H)3	H(CC[4,5,5]HH)	H(CC[4,5,5]HH)	C(C[4,5,5]C[4,5]2C[5,5])(H)3	H(CC[4,5,5]HH)	H(CC[4,5,5]HH)	109.4815	0.030	2	109.4815	0.001	2	109.4815	0.001	2	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5,6]C[3,4,5]C[5,6]P[4,6])(H)3	H(CC[4,5,6]HH)	H(CC[4,5,6]HH)	C(C[4,5,6]C[3,4,5]C[5,6]P[4,6])(H)3	H(CC[4,5,6]HH)	H(CC[4,5,6]HH)	109.5065	0.009	2	109.5065	0.000	2	109.3353	12.085	39	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5,6]C[3,4,5]Si[4,6]C[5,6])(H)3	H(CC[4,5,6]HH)	H(CC[4,5,6]HH)	C(C[4,5,6]C[3,4,5]Si[4,6]C[5,6])(H)3	H(CC[4,5,6]HH)	H(CC[4,5,6]HH)	109.4155	0.062	2	109.4155	0.004	2	109.3353	12.085	39	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5,6]C[4,5,5,6,6]C[4,5,6,6]C[5])(H)3	H(CC[4,5,6]HH)	H(CC[4,5,6]HH)	C(C[4,5,6]C[4,5,5,6,6]C[4,5,6,6]C[5])(H)3	H(CC[4,5,6]HH)	H(CC[4,5,6]HH)	109.4903	0.140	3	109.4903	0.020	3	109.3353	12.085	39	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5,6]C[4,5,5,6,6]P[4,5,3x6]C[5])(H)3	H(CC[4,5,6]HH)	H(CC[4,5,6]HH)	C(C[4,5,6]C[4,5,5,6,6]P[4,5,3x6]C[5])(H)3	H(CC[4,5,6]HH)	H(CC[4,5,6]HH)	109.4638	0.119	6	109.4638	0.014	6	109.3353	12.085	39	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5,6]C[4,5,5,6]C[4,5,5]C[6])(H)3	H(CC[4,5,6]HH)	H(CC[4,5,6]HH)	C(C[4,5,6]C[4,5,5,6]C[4,5,5]C[6])(H)3	H(CC[4,5,6]HH)	H(CC[4,5,6]HH)	108.0029	15.049	3	108.0029	226.485	3	109.3353	12.085	39	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5,6]C[4,5,5,6]C[4,5,6]C[5,6])(H)3	H(CC[4,5,6]HH)	H(CC[4,5,6]HH)	C(C[4,5,6]C[4,5,5,6]C[4,5,6]C[5,6])(H)3	H(CC[4,5,6]HH)	H(CC[4,5,6]HH)	109.4625	0.021	6	109.4625	0.000	6	109.3353	12.085	39	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5,6]C[4,5,5]C[4,6,6]C[5,6])(H)3	H(CC[4,5,6]HH)	H(CC[4,5,6]HH)	C(C[4,5,6]C[4,5,5]C[4,6,6]C[5,6])(H)3	H(CC[4,5,6]HH)	H(CC[4,5,6]HH)	109.4840	0.057	5	109.4840	0.003	5	109.3353	12.085	39	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5,6]C[4,5,6,6]C[4,6,6]C[5])(H)3	H(CC[4,5,6]HH)	H(CC[4,5,6]HH)	C(C[4,5,6]C[4,5,6,6]C[4,6,6]C[5])(H)3	H(CC[4,5,6]HH)	H(CC[4,5,6]HH)	109.4513	0.017	3	109.4513	0.000	3	109.3353	12.085	39	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5,6]C[4,5,6]2C[5,6])(H)3	H(CC[4,5,6]HH)	H(CC[4,5,6]HH)	C(C[4,5,6]C[4,5,6]2C[5,6])(H)3	H(CC[4,5,6]HH)	H(CC[4,5,6]HH)	109.4708	0.028	6	109.4708	0.001	6	109.3353	12.085	39	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5,6]C[4,5]C[4,6]C[5,6])(H)3	H(CC[4,5,6]HH)	H(CC[4,5,6]HH)	C(C[4,5,6]C[4,5]C[4,6]C[5,6])(H)3	H(CC[4,5,6]HH)	H(CC[4,5,6]HH)	109.1990	0.274	3	109.1990	0.075	3	109.3353	12.085	39	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[4,3x5]C[4]C[5])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	C(C[4,5]C[4,3x5]C[4]C[5])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	109.4777	0.024	3	109.4777	0.001	3	109.1597	1.226	109	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[4,5,5]2C)(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	C(C[4,5]C[4,5,5]2C)(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	109.4843	0.116	3	109.4843	0.013	3	109.1597	1.226	109	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[4,5,5]C[4,6]C[5])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	C(C[4,5]C[4,5,5]C[4,6]C[5])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	109.1160	0.756	6	109.1160	0.571	6	109.1597	1.226	109	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[4,5,5]C[4,6]O[5])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	C(C[4,5]C[4,5,5]C[4,6]O[5])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	109.4940	0.000	1	109.4940	0.000	1	109.1597	1.226	109	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[4,5,6]C[4]C[5])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	C(C[4,5]C[4,5,6]C[4]C[5])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	109.4590	0.028	5	109.4590	0.001	5	109.1597	1.226	109	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[4,5,6]C[5,6a]N[4])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	C(C[4,5]C[4,5,6]C[5,6a]N[4])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	109.4743	0.042	3	109.4743	0.002	3	109.1597	1.226	109	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[4,5]2C[5])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	C(C[4,5]C[4,5]2C[5])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	108.9377	0.801	6	108.9377	0.642	6	109.1597	1.226	109	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[4,5]C[4,6]N[5])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	C(C[4,5]C[4,5]C[4,6]N[5])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	109.4617	0.088	3	109.4617	0.008	3	109.1597	1.226	109	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[4,5]C[4]C[5])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	C(C[4,5]C[4,5]C[4]C[5])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	109.2070	1.320	53	109.2070	1.743	53	109.1597	1.226	109	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[4,5]C[4]N[5])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	C(C[4,5]C[4,5]C[4]N[5])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	109.4590	0.031	5	109.4590	0.001	5	109.1597	1.226	109	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[4,5]C[5]O[4])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	C(C[4,5]C[4,5]C[5]O[4])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	109.2336	0.749	7	109.2336	0.561	7	109.1597	1.226	109	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[4,5]N[5]O[4])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	C(C[4,5]C[4,5]N[5]O[4])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	109.4590	0.066	2	109.4590	0.004	2	109.1597	1.226	109	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[5,6a]C[4,5]C[4])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	C(C[4,5]C[5,6a]C[4,5]C[4])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	109.4773	0.037	3	109.4773	0.001	3	109.1597	1.226	109	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[5x3,4,5x5,20x6]C[5,6a]C[4,5])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	C(C[4,5]C[5x3,4,5x5,20x6]C[5,6a]C[4,5])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	109.4943	0.066	3	109.4943	0.004	3	109.1597	1.226	109	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,5]Si[4,5]C[4,5]C[5])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	C(C[4,5]Si[4,5]C[4,5]C[5])(H)3	H(CC[4,5]HH)	H(CC[4,5]HH)	107.3118	1.290	6	107.3118	1.665	6	109.1597	1.226	109	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,6,6]C[4,3x6]C[4,6,6]C[6])(H)3	H(CC[4,6,6]HH)	H(CC[4,6,6]HH)	C(C[4,6,6]C[4,3x6]C[4,6,6]C[6])(H)3	H(CC[4,6,6]HH)	H(CC[4,6,6]HH)	109.5357	0.042	3	109.5357	0.002	3	109.4890	0.001	23	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,6,6]C[4,6,6]2O[6,6])(H)3	H(CC[4,6,6]HH)	H(CC[4,6,6]HH)	C(C[4,6,6]C[4,6,6]2O[6,6])(H)3	H(CC[4,6,6]HH)	H(CC[4,6,6]HH)	109.4675	0.015	4	109.4675	0.000	4	109.4890	0.001	23	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,6,6]C[4,6,6]C[4,6]C[6,6])(H)3	H(CC[4,6,6]HH)	H(CC[4,6,6]HH)	C(C[4,6,6]C[4,6,6]C[4,6]C[6,6])(H)3	H(CC[4,6,6]HH)	H(CC[4,6,6]HH)	109.5105	0.033	2	109.5105	0.001	2	109.4890	0.001	23	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,6,6]C[4,6]2C[6,6])(H)3	H(CC[4,6,6]HH)	H(CC[4,6,6]HH)	C(C[4,6,6]C[4,6]2C[6,6])(H)3	H(CC[4,6,6]HH)	H(CC[4,6,6]HH)	109.4879	0.036	10	109.4879	0.001	10	109.4890	0.001	23	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,6,6]C[4,6]C[6,6]O[4,6])(H)3	H(CC[4,6,6]HH)	H(CC[4,6,6]HH)	C(C[4,6,6]C[4,6]C[6,6]O[4,6])(H)3	H(CC[4,6,6]HH)	H(CC[4,6,6]HH)	109.4405	0.005	2	109.4405	0.000	2	109.4890	0.001	23	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,6,6]C[4,6]C[6,6]S[4,6])(H)3	H(CC[4,6,6]HH)	H(CC[4,6,6]HH)	C(C[4,6,6]C[4,6]C[6,6]S[4,6])(H)3	H(CC[4,6,6]HH)	H(CC[4,6,6]HH)	109.4945	0.025	2	109.4945	0.001	2	109.4890	0.001	23	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,6]C[4,5,6]C[4]C[6])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	C(C[4,6]C[4,5,6]C[4]C[6])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	108.4251	3.528	8	108.4251	12.450	8	109.2604	3.109	1196	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,6]C[4,5,6]C[5,6]C[4])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	C(C[4,6]C[4,5,6]C[5,6]C[4])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	108.5235	1.537	6	108.5235	2.363	6	109.2604	3.109	1196	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,6]C[4,5,6]C[6,6a]C[4])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	C(C[4,6]C[4,5,6]C[6,6a]C[4])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	109.4495	0.026	2	109.4495	0.001	2	109.2604	3.109	1196	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,6]C[4,5]C[4,6]C[6])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	C(C[4,6]C[4,5]C[4,6]C[6])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	109.4680	0.052	3	109.4680	0.003	3	109.2604	3.109	1196	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,6]C[4,6,6]2C)(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	C(C[4,6]C[4,6,6]2C)(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	109.2759	1.762	1057	109.2759	3.105	1057	109.2604	3.109	1196	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,6]C[4,6,6]C[4]C[6])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	C(C[4,6]C[4,6,6]C[4]C[6])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	109.4740	0.035	11	109.4740	0.001	11	109.2604	3.109	1196	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,6]C[4,6]2C[6])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	C(C[4,6]C[4,6]2C[6])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	109.1721	4.021	9	109.1721	16.172	9	109.2604	3.109	1196	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,6]C[4,6]2N[6])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	C(C[4,6]C[4,6]2N[6])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	109.4574	0.039	8	109.4574	0.002	8	109.2604	3.109	1196	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,6]C[4,6]C[4]C[6])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	C(C[4,6]C[4,6]C[4]C[6])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	109.0742	1.840	40	109.0742	3.385	40	109.2604	3.109	1196	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,6]C[4,6]C[4]N[6])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	C(C[4,6]C[4,6]C[4]N[6])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	109.4170	0.798	13	109.4170	0.637	13	109.2604	3.109	1196	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,6]C[4,6]C[5,6]C[4])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	C(C[4,6]C[4,6]C[5,6]C[4])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	109.1033	1.299	25	109.1033	1.688	25	109.2604	3.109	1196	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,6]C[4,6]C[6,6]C[4])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	C(C[4,6]C[4,6]C[6,6]C[4])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	109.4820	0.030	5	109.4820	0.001	5	109.2604	3.109	1196	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,6]C[4,6]C[6]O[4])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	C(C[4,6]C[4,6]C[6]O[4])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	108.4037	2.485	3	108.4037	6.173	3	109.2604	3.109	1196	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,6]C[4,6]N[6]O[4])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	C(C[4,6]C[4,6]N[6]O[4])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	109.4900	0.024	2	109.4900	0.001	2	109.2604	3.109	1196	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,6]C[6,6a]C[4,6]C[4])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	C(C[4,6]C[6,6a]C[4,6]C[4])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	109.5205	0.074	2	109.5205	0.006	2	109.2604	3.109	1196	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,6]N[4,6]C[4]C[6])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	C(C[4,6]N[4,6]C[4]C[6])(H)3	H(CC[4,6]HH)	H(CC[4,6]HH)	109.4765	0.015	2	109.4765	0.000	2	109.2604	3.109	1196	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,5]C[4]H)(Br)(H)2	H(CC[4]BrH)	H(CC[4]BrH)	C(C[4]C[4,5]C[4]H)(Br)(H)2	H(CC[4]BrH)	H(CC[4]BrH)	108.0110	0.000	1	108.0110	0.000	1	108.0330	0.013	5	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2C)(Br)(H)2	H(CC[4]BrH)	H(CC[4]BrH)	C(C[4]C[4]2C)(Br)(H)2	H(CC[4]BrH)	H(CC[4]BrH)	107.9970	0.120	2	107.9970	0.014	2	108.0330	0.013	5	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2H)(Br)(H)2	H(CC[4]BrH)	H(CC[4]BrH)	C(C[4]C[4]2H)(Br)(H)2	H(CC[4]BrH)	H(CC[4]BrH)	108.0800	0.171	2	108.0800	0.029	2	108.0330	0.013	5	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,4]C[4]H)(Cl)(H)2	H(CC[4]ClH)	H(CC[4]ClH)	C(C[4]C[4,4]C[4]H)(Cl)(H)2	H(CC[4]ClH)	H(CC[4]ClH)	110.5475	1.040	4	110.5475	1.081	4	110.5475	1.081	4	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]B[4,5]C[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]B[4,5]C[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4780	0.061	2	109.4780	0.004	2	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]B[4]C[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]B[4]C[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4822	0.032	4	109.4822	0.001	4	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]B[4]C[4]Rh)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]B[4]C[4]Rh)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4693	0.006	4	109.4693	0.000	4	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[3,4]N[4]H)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[3,4]N[4]H)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4800	0.023	3	109.4800	0.001	3	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,5,6]C[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4,5,6]C[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4727	0.020	4	109.4727	0.000	4	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,5,6]C[4]O)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4,5,6]C[4]O)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4593	0.025	3	109.4593	0.001	3	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,5,6]P[4,5]H)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4,5,6]P[4,5]H)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.5020	0.081	2	109.5020	0.006	2	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,5]2C)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4,5]2C)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4362	0.078	6	109.4362	0.006	6	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,5]C[4,6]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4,5]C[4,6]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4699	0.040	31	109.4699	0.002	31	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,5]C[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4,5]C[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4658	0.057	47	109.4658	0.003	47	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,5]C[4]H)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4,5]C[4]H)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4847	0.034	12	109.4847	0.001	12	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,5]S[4]H)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4,5]S[4]H)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4420	0.030	2	109.4420	0.001	2	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6,6]C[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4,6,6]C[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4608	0.039	8	109.4608	0.002	8	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6]2C)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4,6]2C)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4770	0.035	6	109.4770	0.001	6	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6]C[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4,6]C[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.3770	1.388	48	109.3770	1.926	48	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6]C[4]H)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4,6]C[4]H)(H)3	H(CC[4]HH)	H(CC[4]HH)	108.6377	1.827	11	108.6377	3.338	11	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6]C[4]O)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4,6]C[4]O)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4811	0.042	12	109.4811	0.002	12	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6]O[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4,6]O[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4865	0.055	13	109.4865	0.003	13	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6a]C[4,5]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4,6a]C[4,5]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4850	0.027	3	109.4850	0.001	3	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6a]C[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4,6a]C[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.2030	0.418	28	109.2030	0.174	28	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6a]C[4]H)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4,6a]C[4]H)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4633	0.052	6	109.4633	0.003	6	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6a]Si[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4,6a]Si[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4617	0.012	4	109.4617	0.000	4	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2Br)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4]2Br)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4522	0.019	4	109.4522	0.000	4	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2C)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4]2C)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4528	0.577	304	109.4528	0.333	304	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2C[5])(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4]2C[5])(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4552	0.066	23	109.4552	0.004	23	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2C[6])(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4]2C[6])(H)3	H(CC[4]HH)	H(CC[4]HH)	109.2790	0.671	32	109.2790	0.450	32	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2Co)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4]2Co)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.2762	0.723	118	109.2762	0.523	118	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2H)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4]2H)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4202	1.968	95	109.4202	3.872	95	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2N)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4]2N)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4542	0.027	5	109.4542	0.001	5	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2N[3])(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4]2N[3])(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4720	0.028	4	109.4720	0.001	4	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2Ni)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4]2Ni)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4922	0.054	4	109.4922	0.003	4	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2O)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4]2O)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4808	0.041	9	109.4808	0.002	9	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2Pd)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4]2Pd)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4618	0.024	6	109.4618	0.001	6	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2Pt)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4]2Pt)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4815	0.049	40	109.4815	0.002	40	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2Si)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4]2Si)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.5090	0.076	2	109.5090	0.006	2	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]C[5]O[4])(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4]C[5]O[4])(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4540	0.049	2	109.4540	0.002	2	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]N[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4]N[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4423	0.280	32	109.4423	0.079	32	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]N[4]H)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4]N[4]H)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.5082	0.046	6	109.5082	0.002	6	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]N[4]Rh)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4]N[4]Rh)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4695	0.017	4	109.4695	0.000	4	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]O[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4]O[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4793	0.038	18	109.4793	0.001	18	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]O[4]H)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4]O[4]H)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.3625	0.727	19	109.3625	0.529	19	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]P[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4]P[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4854	0.096	68	109.4854	0.009	68	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]P[4]W)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4]P[4]W)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4564	0.065	5	109.4564	0.004	5	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[6a]C[4]2)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[6a]C[4]2)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.1050	1.704	97	109.1050	2.905	97	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[6a]C[4]N[4])(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[6a]C[4]N[4])(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4558	0.042	5	109.4558	0.002	5	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]N[4,6]C[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]N[4,6]C[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4868	0.082	4	109.4868	0.007	4	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]P[4,5]C[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]P[4,5]C[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4847	0.075	6	109.4847	0.006	6	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]P[4]2W)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]P[4]2W)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4884	0.073	10	109.4884	0.005	10	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]Si[4]C[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]Si[4]C[4]C)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.4604	0.038	5	109.4604	0.001	5	109.3887	0.829	1186	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[4]C[4]N[4]H)(H)2(I)	H(CC[4]HI)	H(CC[4]HI)	C(C[4]C[4]N[4]H)(H)2(I)	H(CC[4]HI)	H(CC[4]HI)	108.2285	0.090	2	108.2285	0.008	2	108.2285	0.008	2	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4x5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4x5]C[3x5,6]C[4x5,6]O[5,5])(H)3	H(CC[4x5]HH)	H(CC[4x5]HH)	C(C[4x5]C[3x5,6]C[4x5,6]O[5,5])(H)3	H(CC[4x5]HH)	H(CC[4x5]HH)	109.4567	0.025	3	109.4567	0.001	3	109.4567	0.001	3	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4x6]C[3x6]2C[6,6])(H)3	H(CC[4x6]HH)	H(CC[4x6]HH)	C(C[4x6]C[3x6]2C[6,6])(H)3	H(CC[4x6]HH)	H(CC[4x6]HH)	109.4837	0.055	11	109.4837	0.003	11	109.4720	0.003	66	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	H(CC[4x6]HH)	H(CC[4x6]HH)	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	H(CC[4x6]HH)	H(CC[4x6]HH)	109.4787	0.063	24	109.4787	0.004	24	109.4720	0.003	66	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4x6]C[3x6]C[4x6]O[6,6])(H)3	H(CC[4x6]HH)	H(CC[4x6]HH)	C(C[4x6]C[3x6]C[4x6]O[6,6])(H)3	H(CC[4x6]HH)	H(CC[4x6]HH)	109.4508	0.059	6	109.4508	0.003	6	109.4720	0.003	66	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4x6]C[5a,6,6]C[3x6]C[4x6])(H)3	H(CC[4x6]HH)	H(CC[4x6]HH)	C(C[4x6]C[5a,6,6]C[3x6]C[4x6])(H)3	H(CC[4x6]HH)	H(CC[4x6]HH)	109.4487	0.019	3	109.4487	0.000	3	109.4720	0.003	66	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[4x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[4x6]C[6,6]N[4x6]2)(H)3	H(CC[4x6]HH)	H(CC[4x6]HH)	C(C[4x6]C[6,6]N[4x6]2)(H)3	H(CC[4x6]HH)	H(CC[4x6]HH)	109.4679	0.036	22	109.4679	0.001	22	109.4720	0.003	66	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,3x6]C[5,6,6]2C[6,6])(H)3	H(CC[5,3x6]HH)	H(CC[5,3x6]HH)	C(C[5,3x6]C[5,6,6]2C[6,6])(H)3	H(CC[5,3x6]HH)	H(CC[5,3x6]HH)	109.3550	0.321	13	109.3550	0.103	13	109.3550	0.103	13	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C[5,6])(H)3	H(CC[5,5,3x6]HH)	H(CC[5,5,3x6]HH)	C(C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C[5,6])(H)3	H(CC[5,5,3x6]HH)	H(CC[5,5,3x6]HH)	109.4915	0.026	2	109.4915	0.001	2	109.4915	0.001	2	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,4x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,4x6]C[4,5,4x6]C[5,5x6]C[5,5])(H)3	H(CC[5,5,4x6]HH)	H(CC[5,5,4x6]HH)	C(C[5,5,4x6]C[4,5,4x6]C[5,5x6]C[5,5])(H)3	H(CC[5,5,4x6]HH)	H(CC[5,5,4x6]HH)	107.1983	3.841	3	107.1983	14.754	3	107.1983	14.754	3	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C[5,6])(H)3	H(CC[5,5,6,6]HH)	H(CC[5,5,6,6]HH)	C(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C[5,6])(H)3	H(CC[5,5,6,6]HH)	H(CC[5,5,6,6]HH)	109.4905	0.063	6	109.4905	0.004	6	109.2996	0.734	40	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6,6]C[3x5,6]C[5,3x6]C[5,5,6])(H)3	H(CC[5,5,6,6]HH)	H(CC[5,5,6,6]HH)	C(C[5,5,6,6]C[3x5,6]C[5,3x6]C[5,5,6])(H)3	H(CC[5,5,6,6]HH)	H(CC[5,5,6,6]HH)	109.4765	0.056	2	109.4765	0.003	2	109.2996	0.734	40	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6,6]C[3x5,6]C[5,5,6]C[5,6,6])(H)3	H(CC[5,5,6,6]HH)	H(CC[5,5,6,6]HH)	C(C[5,5,6,6]C[3x5,6]C[5,5,6]C[5,6,6])(H)3	H(CC[5,5,6,6]HH)	H(CC[5,5,6,6]HH)	109.4888	0.060	6	109.4888	0.004	6	109.2996	0.734	40	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])(H)3	H(CC[5,5,6,6]HH)	H(CC[5,5,6,6]HH)	C(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])(H)3	H(CC[5,5,6,6]HH)	H(CC[5,5,6,6]HH)	109.4607	0.028	3	109.4607	0.001	3	109.2996	0.734	40	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C[5])(H)3	H(CC[5,5,6,6]HH)	H(CC[5,5,6,6]HH)	C(C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C[5])(H)3	H(CC[5,5,6,6]HH)	H(CC[5,5,6,6]HH)	109.4952	0.089	5	109.4952	0.008	5	109.2996	0.734	40	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,6])(H)3	H(CC[5,5,6,6]HH)	H(CC[5,5,6,6]HH)	C(C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,6])(H)3	H(CC[5,5,6,6]HH)	H(CC[5,5,6,6]HH)	109.5030	0.051	2	109.5030	0.003	2	109.2996	0.734	40	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,6])(H)3	H(CC[5,5,6,6]HH)	H(CC[5,5,6,6]HH)	C(C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,6])(H)3	H(CC[5,5,6,6]HH)	H(CC[5,5,6,6]HH)	107.0243	2.419	3	107.0243	5.854	3	109.2996	0.734	40	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6,6]C[5,5,6,6]P[5,5,6,6]P[6,6])(H)3	H(CC[5,5,6,6]HH)	H(CC[5,5,6,6]HH)	C(C[5,5,6,6]C[5,5,6,6]P[5,5,6,6]P[6,6])(H)3	H(CC[5,5,6,6]HH)	H(CC[5,5,6,6]HH)	109.4425	0.040	2	109.4425	0.002	2	109.2996	0.734	40	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(H)3	H(CC[5,5,6,6]HH)	H(CC[5,5,6,6]HH)	C(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(H)3	H(CC[5,5,6,6]HH)	H(CC[5,5,6,6]HH)	109.5510	0.092	2	109.5510	0.008	2	109.2996	0.734	40	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,6])(H)3	H(CC[5,5,6,6]HH)	H(CC[5,5,6,6]HH)	C(C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,6])(H)3	H(CC[5,5,6,6]HH)	H(CC[5,5,6,6]HH)	109.4597	0.037	3	109.4597	0.001	3	109.2996	0.734	40	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6,6]C[5,6,6]2O[5,5])(H)3	H(CC[5,5,6,6]HH)	H(CC[5,5,6,6]HH)	C(C[5,5,6,6]C[5,6,6]2O[5,5])(H)3	H(CC[5,5,6,6]HH)	H(CC[5,5,6,6]HH)	109.4633	0.031	3	109.4633	0.001	3	109.2996	0.734	40	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6,6]C[5,6,6]N[3x5,6]C[5,6])(H)3	H(CC[5,5,6,6]HH)	H(CC[5,5,6,6]HH)	C(C[5,5,6,6]C[5,6,6]N[3x5,6]C[5,6])(H)3	H(CC[5,5,6,6]HH)	H(CC[5,5,6,6]HH)	109.4870	0.032	3	109.4870	0.001	3	109.2996	0.734	40	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]As[5,6]C[5,5]C[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]As[5,6]C[5,5]C[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4893	0.039	3	109.4893	0.002	3	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[3,5,5]C[5,6]2)(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3,5,5]C[5,6]2)(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4480	0.037	5	109.4480	0.001	5	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.7179	2.153	19	109.7179	4.635	19	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[3x5,6,6]B[5,5]C[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3x5,6,6]B[5,5]C[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4636	0.041	5	109.4636	0.002	5	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[3x5,6]C[5,5,6]C[5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3x5,6]C[5,5,6]C[5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4453	0.069	4	109.4453	0.005	4	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[3x5,6]C[5,5,6]O[5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3x5,6]C[5,5,6]O[5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4957	0.047	3	109.4957	0.002	3	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[3x5,6]C[5,5]C[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3x5,6]C[5,5]C[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.2367	0.556	3	109.2367	0.309	3	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	108.9856	0.990	11	108.9856	0.980	11	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[3x5,6]C[5,6]2)(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3x5,6]C[5,6]2)(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4719	0.071	14	109.4719	0.005	14	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[3x5,6]C[5,6]C[5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3x5,6]C[5,6]C[5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4788	0.060	6	109.4788	0.004	6	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.1303	2.900	20	109.1303	8.409	20	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[3x5,6]C[5,6a]C[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3x5,6]C[5,6a]C[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4780	0.042	2	109.4780	0.002	2	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[4,5,5,6]C[3x5,6]C)(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[4,5,5,6]C[3x5,6]C)(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4770	0.047	4	109.4770	0.002	4	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[4,5,6]C[5,5,6]O[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[4,5,6]C[5,5,6]O[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4697	0.025	3	109.4697	0.001	3	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[4,5,6]C[5,5]C[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[4,5,6]C[5,5]C[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.5230	0.080	3	109.5230	0.006	3	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4887	0.069	3	109.4887	0.005	3	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4927	0.052	6	109.4927	0.003	6	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4460	0.051	4	109.4460	0.003	4	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4710	0.042	7	109.4710	0.002	7	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6]2C[5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]2C[5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.3064	1.015	24	109.3064	1.031	24	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6]2O[5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]2O[5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.9748	1.580	6	109.9748	2.498	6	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4578	0.673	67	109.4578	0.452	67	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]2)(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,6]2)(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4664	0.032	5	109.4664	0.001	5	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]C[5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,6]C[5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.0484	0.989	15	109.0484	0.979	15	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.2683	0.565	22	109.2683	0.319	22	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4778	0.046	19	109.4778	0.002	19	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,6]O[5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4553	0.040	6	109.4553	0.002	6	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4732	0.062	11	109.4732	0.004	11	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6]N[5,6]O[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]N[5,6]O[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4595	0.053	6	109.4595	0.003	6	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6]O[5,5]O[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]O[5,5]O[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4929	1.013	11	109.4929	1.027	11	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6]O[5,6]2)(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]O[5,6]2)(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	110.5574	6.184	18	110.5574	38.245	18	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.3315	1.610	659	109.3315	2.591	659	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]N[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]N[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.2957	0.618	12	109.2957	0.382	12	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4793	0.087	11	109.4793	0.008	11	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5]O[5,6]2)(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]O[5,6]2)(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4670	0.033	16	109.4670	0.001	16	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4715	0.084	25	109.4715	0.007	25	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4732	0.354	99	109.4732	0.126	99	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6,6]C[5,6]O[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6]C[5,6]O[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4850	0.029	5	109.4850	0.001	5	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	108.6212	1.034	6	108.6212	1.069	6	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4631	0.039	29	109.4631	0.002	29	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4510	0.078	2	109.4510	0.006	2	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4740	0.032	4	109.4740	0.001	4	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4679	0.031	15	109.4679	0.001	15	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4640	0.051	10	109.4640	0.003	10	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6]2N[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]2N[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	108.2900	4.924	23	108.2900	24.245	23	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4661	0.049	44	109.4661	0.002	44	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6]2S[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]2S[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4826	0.072	22	109.4826	0.005	22	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6]N[5,5]N[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]N[5,5]N[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4520	0.042	2	109.4520	0.002	2	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6]N[5,6]S[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]N[5,6]S[5,5])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4827	0.017	3	109.4827	0.000	3	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4207	3.543	10	109.4207	12.552	10	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]N[5,5,6,6]C[5,5,6]C[5a,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	C(C[5,5,6]N[5,5,6,6]C[5,5,6]C[5a,6])(H)3	H(CC[5,5,6]HH)	H(CC[5,5,6]HH)	109.4577	0.044	3	109.4577	0.002	3	109.3754	2.582	1335	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(Br)(H)2	H(CC[5,5]BrH)	H(CC[5,5]BrH)	C(C[5,5]C[5,5,6]2C)(Br)(H)2	H(CC[5,5]BrH)	H(CC[5,5]BrH)	107.7900	0.000	1	107.7900	0.000	1	107.7900	0.000	1	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(Cl)(H)2	H(CC[5,5]ClH)	H(CC[5,5]ClH)	C(C[5,5]C[5,5,6]2C)(Cl)(H)2	H(CC[5,5]ClH)	H(CC[5,5]ClH)	107.6590	1.992	3	107.6590	3.968	3	107.6367	2.647	4	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5]N[5])(Cl)(H)2	H(CC[5,5]ClH)	H(CC[5,5]ClH)	C(C[5,5]C[5,5]C[5]N[5])(Cl)(H)2	H(CC[5,5]ClH)	H(CC[5,5]ClH)	107.5700	0.000	1	107.5700	0.000	1	107.6367	2.647	4	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]B[5,5,6]P[5,5,6]H)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]B[5,5,6]P[5,5,6]H)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4647	0.040	15	109.4647	0.002	15	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]B[5,5]C[5]2)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]B[5,5]C[5]2)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4840	0.004	2	109.4840	0.000	2	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[3,5,5]C[3x5]C)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[3,5,5]C[3x5]C)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4708	0.041	5	109.4708	0.002	5	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[3,5,5]C[5]2)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[3,5,5]C[5]2)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4383	0.047	3	109.4383	0.002	3	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[3,5,5]C[5]N[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[3,5,5]C[5]N[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4653	0.029	3	109.4653	0.001	3	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[3,5,5]C[5]P[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[3,5,5]C[5]P[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.1023	0.797	6	109.1023	0.635	6	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[3,5,5]N[5]O[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[3,5,5]N[5]O[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.0620	3.661	3	109.0620	13.402	3	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[3x5,6,6]O[5]2)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[3x5,6,6]O[5]2)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4813	0.067	3	109.4813	0.004	3	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.2491	1.474	439	109.2491	2.173	439	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[3x5,6]C[5,5,6]H)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[3x5,6]C[5,5,6]H)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4487	0.012	3	109.4487	0.000	3	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[3x5]C[5,5]O[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[3x5]C[5,5]O[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4568	0.100	5	109.4568	0.010	5	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[3x5]C[5]2)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[3x5]C[5]2)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	111.1658	9.928	8	111.1658	98.567	8	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[3x5]C[5]O[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[3x5]C[5]O[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4840	0.007	2	109.4840	0.000	2	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[4,3x5]C[5]2)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[4,3x5]C[5]2)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4920	0.055	2	109.4920	0.003	2	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6,6]C[5,5,6]C)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6,6]C[5,5,6]C)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4607	0.029	7	109.4607	0.001	7	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6,6]C[5]O[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6,6]C[5]O[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4820	0.037	3	109.4820	0.001	3	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.3221	1.554	1613	109.3221	2.416	1613	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6]2H)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2H)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.2082	0.907	17	109.2082	0.823	17	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6]C[5,6]C[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]C[5,6]C[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4750	0.018	2	109.4750	0.000	2	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6]C[5]2)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]C[5]2)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4638	0.054	4	109.4638	0.003	4	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6]C[5]O[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]C[5]O[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4659	0.040	7	109.4659	0.002	7	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6]O[5]2)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]O[5]2)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4804	0.054	5	109.4804	0.003	5	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6a]C[5,6a]N[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6a]C[5,6a]N[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4714	0.053	5	109.4714	0.003	5	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]2C[5,6])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,5]2C[5,6])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4658	0.078	5	109.4658	0.006	5	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]2C[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,5]2C[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4766	0.049	35	109.4766	0.002	35	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]As[5]C[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,5]As[5]C[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	107.7927	0.483	6	107.7927	0.233	6	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5,6]C[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5,6]C[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4782	0.031	13	109.4782	0.001	13	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5,6]O[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5,6]O[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4699	0.056	9	109.4699	0.003	9	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.2450	1.800	97	109.2450	3.241	97	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5]N[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]N[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.2055	1.261	28	109.2055	1.590	28	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]O[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.5515	0.900	48	109.5515	0.810	48	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5]P[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]P[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4757	0.056	9	109.4757	0.003	9	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]N[5]2)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,5]N[5]2)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4723	0.061	240	109.4723	0.004	240	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]N[5]O[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,5]N[5]O[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.2619	0.953	20	109.2619	0.908	20	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]O[5]2)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,5]O[5]2)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4507	0.033	15	109.4507	0.001	15	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]Si[5]C[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,5]Si[5]C[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	107.3557	0.611	6	107.3557	0.374	6	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5a]C[5,5]O[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,5a]C[5,5]O[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.7090	6.044	3	109.7090	36.532	3	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,6a]2C[3x5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]2C[3x5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.2300	1.025	93	109.2300	1.052	93	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,6a]2C[5,5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]2C[5,5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4703	0.049	15	109.4703	0.002	15	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.2528	0.889	79	109.2528	0.790	79	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]N[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]N[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	108.5202	1.549	18	108.5202	2.398	18	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]O[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]O[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4684	0.024	11	109.4684	0.001	11	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,6a]N[3x5]O[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]N[3x5]O[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4520	0.000	1	109.4520	0.000	1	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,6a]N[5,5]C[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]N[5,5]C[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4687	0.042	34	109.4687	0.002	34	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,6a]N[5,5]N[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]N[5,5]N[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4616	0.022	5	109.4616	0.000	5	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]N[5,5]C[5]2)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]N[5,5]C[5]2)(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.6195	0.697	11	109.6195	0.486	11	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]N[5,5]C[5]O[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]N[5,5]C[5]O[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4727	0.045	29	109.4727	0.002	29	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]N[5,5]N[5]O[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]N[5,5]N[5]O[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4621	0.068	10	109.4621	0.005	10	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]N[5,5]Se[5]C[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	C(C[5,5]N[5,5]Se[5]C[5])(H)3	H(CC[5,5]HH)	H(CC[5,5]HH)	109.4735	0.035	4	109.4735	0.001	4	109.3250	2.119	3006	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(H)2(I)	H(CC[5,5]HI)	H(CC[5,5]HI)	C(C[5,5]C[5,5]C[5]O[5])(H)2(I)	H(CC[5,5]HI)	H(CC[5,5]HI)	107.5540	0.000	2	107.5540	0.000	2	107.5540	0.000	2	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(Cl)(H)2	H(CC[5,6,6]ClH)	H(CC[5,6,6]ClH)	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(Cl)(H)2	H(CC[5,6,6]ClH)	H(CC[5,6,6]ClH)	108.0770	0.000	1	108.0770	0.000	1	108.0770	0.000	1	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[3,5,6]C[5,5,6]C[6,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[3,5,6]C[5,5,6]C[6,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4788	0.080	9	109.4788	0.006	9	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4868	0.041	5	109.4868	0.002	5	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[3x6]C[5,6]O[5,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[3x6]C[5,6]O[5,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4700	0.026	5	109.4700	0.001	5	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[3x6]N[5,6]2)(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[3x6]N[5,6]2)(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4734	0.039	5	109.4734	0.001	5	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[4,5,6,6]C[6,6]O[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[4,5,6,6]C[6,6]O[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4767	0.058	3	109.4767	0.003	3	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[4,6,6]C[5,6,6]C[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[4,6,6]C[5,6,6]C[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4500	0.024	3	109.4500	0.001	3	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4753	0.043	23	109.4753	0.002	23	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[4x6]O[5,6]2)(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[4x6]O[5,6]2)(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4842	0.046	10	109.4842	0.002	10	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4795	0.059	10	109.4795	0.003	10	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,3x6]C[3x6]O[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,3x6]C[3x6]O[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4685	0.005	2	109.4685	0.000	2	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,3x6]C[5,6,6]C[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,3x6]C[5,6,6]C[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4765	0.013	2	109.4765	0.000	2	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,3x6]C[5,6,6]O[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,3x6]C[5,6,6]O[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4753	0.036	3	109.4753	0.001	3	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4796	0.038	18	109.4796	0.001	18	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4860	0.030	7	109.4860	0.001	7	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,3x6]O[6,6]O[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,3x6]O[6,6]O[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4857	0.066	8	109.4857	0.004	8	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,5,3x6]C[5,6]C[6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,3x6]C[5,6]C[6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.5436	0.483	10	109.5436	0.233	10	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4638	0.054	10	109.4638	0.003	10	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	110.1115	3.890	8	110.1115	15.131	8	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4897	0.038	6	109.4897	0.001	6	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,5,6,6]C[5,6]2)(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6,6]C[5,6]2)(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4753	0.063	6	109.4753	0.004	6	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4585	0.039	13	109.4585	0.002	13	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.2908	2.261	14	109.2908	5.110	14	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,5,6,6]O[5,6]C[6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6,6]O[5,6]C[6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4807	0.067	10	109.4807	0.005	10	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	108.7151	1.240	9	108.7151	1.536	9	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,5,6]C[5,6,6]C[6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6]C[5,6,6]C[6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4649	0.022	7	109.4649	0.000	7	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[3x6]O[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[3x6]O[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4687	0.023	3	109.4687	0.001	3	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6]C[6,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[5,6]C[6,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4580	0.046	11	109.4580	0.002	11	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	107.7224	5.104	9	107.7224	26.048	9	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6]N[5,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[5,6]N[5,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4505	0.025	2	109.4505	0.001	2	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4705	0.041	6	109.4705	0.002	6	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6]O[6,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[5,6]O[6,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.5020	0.033	3	109.5020	0.001	3	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[6,6]N[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[6,6]N[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4820	0.050	3	109.4820	0.003	3	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[6,6]O[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[6,6]O[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4765	0.020	6	109.4765	0.000	6	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4720	0.077	154	109.4720	0.006	154	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6]2C[6,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6]2C[6,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.0156	2.053	29	109.0156	4.213	29	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6]C[6,6]N[5,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6]C[6,6]N[5,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4750	0.082	3	109.4750	0.007	3	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4908	7.043	18	109.4908	49.602	18	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6]O[5,6]O[6,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6]O[5,6]O[6,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	108.9775	3.337	15	108.9775	11.133	15	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[6,6,6a]C[5,6]N[5,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[6,6,6a]C[5,6]N[5,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4577	0.031	3	109.4577	0.001	3	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[6,6]O[5,6]2)(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]C[6,6]O[5,6]2)(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	111.7345	5.389	15	111.7345	29.043	15	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]N[5,6,6]C[3x6]O[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]N[5,6,6]C[3x6]O[5])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4802	0.092	5	109.4802	0.008	5	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]N[5,6,6]C[5,6]C[6,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]N[5,6,6]C[5,6]C[6,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4730	0.044	6	109.4730	0.002	6	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]N[5,6,6]C[5,6a]C[3x6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]N[5,6,6]C[5,6a]C[3x6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4754	0.036	8	109.4754	0.001	8	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]Se[6,6]C[5,6]O[5,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	C(C[5,6,6]Se[6,6]C[5,6]O[5,6])(H)3	H(CC[5,6,6]HH)	H(CC[5,6,6]HH)	109.4523	0.031	3	109.4523	0.001	3	109.4619	4.030	508	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(Br)(H)2	H(CC[5,6]BrH)	H(CC[5,6]BrH)	C(C[5,6]C[5,5,6]C[5,6]H)(Br)(H)2	H(CC[5,6]BrH)	H(CC[5,6]BrH)	107.8750	0.000	1	107.8750	0.000	1	107.8750	0.000	1	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(Cl)(H)2	H(CC[5,6]ClH)	H(CC[5,6]ClH)	C(C[5,6]C[5,6]C[6]O[5])(Cl)(H)2	H(CC[5,6]ClH)	H(CC[5,6]ClH)	110.3070	0.000	1	110.3070	0.000	1	110.3070	0.000	1	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:F-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]2H)(F)(H)2	H(CC[5,6]FH)	H(CC[5,6]FH)	C(C[5,6]C[5,6]2H)(F)(H)2	H(CC[5,6]FH)	H(CC[5,6]FH)	108.4470	0.000	1	108.4470	0.000	1	108.4470	0.000	1	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]B[5,6]P[5,6]H)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]B[5,6]P[5,6]H)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4382	0.022	5	109.4382	0.001	5	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3,5,6,6]C[5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6,6]C[5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	108.1543	3.016	3	108.1543	9.095	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3,5,6]C[5,6,6]H)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[5,6,6]H)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4809	0.070	8	109.4809	0.005	8	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3,5,6]C[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4927	0.039	3	109.4927	0.002	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3,5,6]C[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.1370	1.037	5	109.1370	1.076	5	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	110.1090	4.966	36	110.1090	24.656	36	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3,5,6]C[5]O[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[5]O[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4750	0.057	5	109.4750	0.003	5	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4110	1.180	61	109.4110	1.391	61	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3,5]C[3,6]C[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[3,6]C[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4510	0.035	3	109.4510	0.001	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3,5]C[4,6]C[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[4,6]C[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4490	0.055	4	109.4490	0.003	4	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]2)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]2)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4750	0.053	3	109.4750	0.003	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]C[6,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]C[6,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4567	0.024	3	109.4567	0.001	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4192	0.437	57	109.4192	0.191	57	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]O[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]O[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4765	0.023	2	109.4765	0.001	2	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]O[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]O[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4955	0.011	2	109.4955	0.000	2	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3,6,6]C[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[3,6,6]C[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.5435	0.066	2	109.5435	0.004	2	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3,6]C[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[3,6]C[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	108.9543	1.494	3	108.9543	2.232	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3,6]C[5,6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[3,6]C[5,6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4533	0.028	3	109.4533	0.001	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3x5,6]C[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[3x5,6]C[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4750	0.050	3	109.4750	0.002	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3x5,6]C[5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[3x5,6]C[5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4621	0.026	11	109.4621	0.001	11	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3x5]C[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[3x5]C[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	108.8068	2.542	5	108.8068	6.462	5	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[4,5,6]C[5]O[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[4,5,6]C[5]O[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4740	0.041	11	109.4740	0.002	11	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[4,5]C[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[4,5]C[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4399	0.095	12	109.4399	0.009	12	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,3x6]C[5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,3x6]C[5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	107.2177	4.690	3	107.2177	21.996	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,3x6]C[6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,3x6]C[6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.5007	0.033	3	109.5007	0.001	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,4x6]C[5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,4x6]C[5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4746	0.036	18	109.4746	0.001	18	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6,6]C[5,6]C)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6,6]C[5,6]C)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4706	0.039	8	109.4706	0.001	8	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6,6]C[6]N[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6,6]C[6]N[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4490	0.018	3	109.4490	0.000	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]2C)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]2C)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.5342	0.153	21	109.5342	0.023	21	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]2H)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]2H)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4777	0.031	3	109.4777	0.001	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]2O)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]2O)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.3872	0.877	11	109.3872	0.768	11	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6,6]C)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6,6]C)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	108.9881	1.888	30	108.9881	3.566	30	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6,6]O)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6,6]O)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	110.5995	11.017	18	110.5995	121.372	18	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.1975	1.466	167	109.1975	2.148	167	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.3246	1.747	13	109.3246	3.051	13	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4226	0.288	54	109.4226	0.083	54	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]O)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]O)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.3743	0.202	12	109.3743	0.041	12	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4803	0.020	3	109.4803	0.000	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6a]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6a]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4627	0.068	3	109.4627	0.005	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4827	0.638	100	109.4827	0.407	100	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]N[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]N[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.6187	2.400	6	109.6187	5.759	6	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]O[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]O[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4530	0.040	3	109.4530	0.002	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[6,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[6,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.5040	0.040	3	109.5040	0.002	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[6,6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[6,6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4630	0.027	2	109.4630	0.001	2	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[6,6a]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[6,6a]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4710	0.016	2	109.4710	0.000	2	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[6]N[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[6]N[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4687	0.066	3	109.4687	0.004	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4816	0.038	15	109.4816	0.001	15	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4784	0.031	9	109.4784	0.001	9	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]O[5,6]H)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]O[5,6]H)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4873	0.045	3	109.4873	0.002	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]O[5]O[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]O[5]O[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4803	0.031	6	109.4803	0.001	6	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]S[5,6]C)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]S[5,6]C)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4542	0.043	5	109.4542	0.002	5	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4196	0.680	260	109.4196	0.463	260	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]O[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]O[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4590	0.011	2	109.4590	0.000	2	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5]N[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5]N[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	108.3450	1.814	9	108.3450	3.292	9	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5]O[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5]O[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4370	0.062	4	109.4370	0.004	4	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5a]C[5,6]C[6,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5a]C[5,6]C[6,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4726	0.045	32	109.4726	0.002	32	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5a]C[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5a]C[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4698	0.057	28	109.4698	0.003	28	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5a]C[6,6a]C[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,5a]C[6,6a]C[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4703	0.047	3	109.4703	0.002	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6,6]C[3,5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[3,5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4805	0.068	4	109.4805	0.005	4	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6,6]C[3x5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[3x5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4587	0.072	3	109.4587	0.005	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6,6]C[5,5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5,5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4665	0.073	2	109.4665	0.005	2	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6,6]C[5,6]C)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5,6]C)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4663	0.031	23	109.4663	0.001	23	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6,6]C[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.1400	1.400	18	109.1400	1.959	18	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6,6]C[5,6]C[6,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5,6]C[6,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4070	0.054	2	109.4070	0.003	2	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6,6]C[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4670	0.061	3	109.4670	0.004	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6,6]C[5,6]H)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5,6]H)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4937	0.022	3	109.4937	0.000	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6,6]C[5,6]O)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5,6]O)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4745	0.058	4	109.4745	0.003	4	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6,6]C[5,6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5,6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4835	0.066	6	109.4835	0.004	6	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4085	0.425	184	109.4085	0.181	184	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]O[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]O[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4766	0.046	9	109.4766	0.002	9	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6,6]C[6,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[6,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4900	0.017	3	109.4900	0.000	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6,6]C[6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4734	0.036	17	109.4734	0.001	17	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6,6a]C[5,6a]C[6,6a])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6a]C[5,6a]C[6,6a])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4644	0.030	14	109.4644	0.001	14	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6,6a]C[5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6a]C[5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4982	0.055	5	109.4982	0.003	5	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6,6a]C[5]N[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6a]C[5]N[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.0259	1.480	12	109.0259	2.191	12	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]2C)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	108.9961	1.328	92	108.9961	1.762	92	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]2C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	108.9843	1.364	55	108.9843	1.861	55	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4079	0.718	81	109.4079	0.515	81	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]2H)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2H)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.2991	1.094	12	109.2991	1.198	12	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]2O)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2O)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4480	0.047	2	109.4480	0.002	2	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]2O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.0297	1.174	22	109.0297	1.379	22	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]2S[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2S[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4643	0.047	42	109.4643	0.002	42	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.3248	1.360	3017	109.3248	1.850	3017	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[5]N[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]N[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4733	0.053	56	109.4733	0.003	56	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[5]O[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]O[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.3100	0.580	28	109.3100	0.336	28	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.3269	1.092	287	109.3269	1.193	287	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	108.9466	2.688	7	108.9466	7.224	7	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[6]N[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]N[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.3700	0.754	30	109.3700	0.569	30	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4363	0.658	204	109.4363	0.433	204	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[6]S[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]S[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4513	0.034	3	109.4513	0.001	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]N[5,5]O[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6]N[5,5]O[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4215	0.035	4	109.4215	0.001	4	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]N[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6]N[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4868	0.035	4	109.4868	0.001	4	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]N[6,6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6]N[6,6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4632	0.048	5	109.4632	0.002	5	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4077	2.986	25	109.4077	8.917	25	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]O[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6]O[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4699	0.086	12	109.4699	0.007	12	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]O[5]O[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6]O[5]O[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.8017	1.401	19	109.8017	1.963	19	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]Se[5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6]Se[5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4915	0.059	16	109.4915	0.004	16	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]Se[6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6]Se[6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	110.2343	2.176	3	110.2343	4.737	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6a]C[4,6]C[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[4,6]C[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4600	0.029	6	109.4600	0.001	6	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]2)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]2)(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4642	0.047	6	109.4642	0.002	6	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4865	0.036	11	109.4865	0.001	11	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4148	1.283	86	109.4148	1.646	86	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]N[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]N[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4737	0.041	7	109.4737	0.002	7	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]O[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]O[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4719	0.050	18	109.4719	0.002	18	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]S[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]S[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4658	0.023	5	109.4658	0.001	5	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6a]C[5a,6]C[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5a,6]C[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4583	0.052	3	109.4583	0.003	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6a]C[5a,6]N[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5a,6]N[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4787	0.021	3	109.4787	0.000	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6a]C[6,6a]N[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[6,6a]N[5,6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4510	0.024	3	109.4510	0.001	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6a]N[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]N[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4529	0.055	11	109.4529	0.003	11	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6a]O[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]O[5,6]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4603	0.057	3	109.4603	0.003	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5a,6]C[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5a,6]C[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4526	0.274	9	109.4526	0.075	9	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5a,6]C[5,6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5a,6]C[5,6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4872	0.037	5	109.4872	0.001	5	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5a,6]C[5,6]S[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5a,6]C[5,6]S[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4760	0.000	1	109.4760	0.000	1	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4260	0.204	33	109.4260	0.042	33	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[6,6]O[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[6,6]O[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4655	0.669	8	109.4655	0.447	8	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[6,6]O[5,6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[6,6]O[5,6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4530	0.011	3	109.4530	0.000	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4661	0.034	19	109.4661	0.001	19	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[6,6a]C[5,6]N[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[6,6a]C[5,6]N[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	108.9950	1.228	10	108.9950	1.508	10	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[6,6a]C[5,6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[6,6a]C[5,6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.7069	1.182	12	109.7069	1.398	12	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[6,6a]N[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[6,6a]N[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4508	0.164	11	109.4508	0.027	11	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[6,6a]N[5,6]S[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[6,6a]N[5,6]S[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4737	0.034	3	109.4737	0.001	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[6,6a]O[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]C[6,6a]O[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4843	0.057	6	109.4843	0.003	6	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.5534	1.164	35	109.5534	1.355	35	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]N[5,6]C[5]N[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[5]N[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4728	0.030	18	109.4728	0.001	18	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]N[5,6]C[5]O[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[5]O[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4639	0.055	12	109.4639	0.003	12	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]N[5,6]C[6]N[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[6]N[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4723	0.059	6	109.4723	0.004	6	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]N[5,6]C[6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4767	0.044	6	109.4767	0.002	6	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]N[5a,6]C[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]N[5a,6]C[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4840	0.024	4	109.4840	0.001	4	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]N[5a,6]N[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]N[5a,6]N[5,6]C[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4600	0.020	3	109.4600	0.000	3	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[5]C[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.4698	0.039	41	109.4698	0.002	41	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]O[5,6]C[5]O[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[5]O[6])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.2941	2.239	18	109.2941	5.012	18	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[6]O[5])(H)3	H(CC[5,6]HH)	H(CC[5,6]HH)	109.5995	3.584	65	109.5995	12.844	65	109.3579	2.001	5943	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)2(I)	H(CC[5,6]HI)	H(CC[5,6]HI)	C(C[5,6]C[5,6]C[6]O[5])(H)2(I)	H(CC[5,6]HI)	H(CC[5,6]HI)	108.4267	1.535	3	108.4267	2.356	3	108.2590	1.683	4	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(H)2(I)	H(CC[5,6]HI)	H(CC[5,6]HI)	C(C[5,6]O[5,6]C[5]C[6])(H)2(I)	H(CC[5,6]HI)	H(CC[5,6]HI)	107.7560	0.000	1	107.7560	0.000	1	108.2590	1.683	4	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:O-1:	C-4:	C-4:	C(C[5,6]C[5,6,6]C[6]O[5])(H)2(O)	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,6,6]C[6]O[5])(H)2(O)	H(CC[5,6]HO)	H(CC[5,6]HO)	110.5660	0.000	1	110.5660	0.000	1	110.5660	0.000	1	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]O[5]C)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	C(C[5]C[5,6]O[5]C)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	107.8980	0.000	1	107.8980	0.000	1	108.0238	0.475	33	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Br)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	C(C[5]C[5]2Br)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	107.7700	0.000	1	107.7700	0.000	1	108.0238	0.475	33	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	C(C[5]C[5]2H)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	107.7090	0.037	2	107.7090	0.001	2	108.0238	0.475	33	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Re)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	C(C[5]C[5]2Re)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	108.3290	0.000	1	108.3290	0.000	1	108.0238	0.475	33	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	C(C[5]C[5]N[5]H)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	108.5656	1.741	5	108.5656	3.032	5	108.0238	0.475	33	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]O)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	C(C[5]C[5]N[5]O)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	108.0500	0.000	1	108.0500	0.000	1	108.0238	0.475	33	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	C(C[5]C[5]O[5]C)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	107.8503	0.219	3	107.8503	0.048	3	108.0238	0.475	33	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	C(C[5]C[5]O[5]H)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	108.0934	0.146	7	108.0934	0.021	7	108.0238	0.475	33	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]O)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	C(C[5]C[5]O[5]O)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	107.9190	0.174	2	107.9190	0.030	2	108.0238	0.475	33	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5]O)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	C(C[5]C[5]S[5]O)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	107.7930	0.000	1	107.7930	0.000	1	108.0238	0.475	33	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	C(C[5]C[6a]C[5]N[5])(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	107.7275	0.088	2	107.7275	0.008	2	108.0238	0.475	33	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	C(C[5]C[6a]C[5]O[5])(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	107.7335	0.111	2	107.7335	0.012	2	108.0238	0.475	33	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]O[5]2)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	C(C[5]C[6a]O[5]2)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	107.7653	0.031	3	107.7653	0.001	3	108.0238	0.475	33	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6]C[5]H)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	C(C[5]N[5,6]C[5]H)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	108.4650	0.000	1	108.4650	0.000	1	108.0238	0.475	33	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[5]Se[5]C[5]H)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	C(C[5]Se[5]C[5]H)(Br)(H)2	H(CC[5]BrH)	H(CC[5]BrH)	107.9750	0.000	1	107.9750	0.000	1	108.0238	0.475	33	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[4,5]C[5]H)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	C(C[5]C[4,5]C[5]H)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	108.1020	0.000	1	108.1020	0.000	1	108.0351	0.055	35	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	C(C[5]C[5,5]C[5]H)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	108.2630	0.000	2	108.2630	0.000	2	108.0351	0.055	35	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]H)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	C(C[5]C[5,5]O[5]H)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	108.0040	0.000	1	108.0040	0.000	1	108.0351	0.055	35	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]O)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	C(C[5]C[5,6]C[5]O)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	108.0560	0.000	1	108.0560	0.000	1	108.0351	0.055	35	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2C)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	C(C[5]C[5,6a]2C)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	107.6620	0.000	1	107.6620	0.000	1	108.0351	0.055	35	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	C(C[5]C[5]2H)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	107.9994	0.135	7	107.9994	0.018	7	108.0351	0.055	35	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	C(C[5]C[5]2O)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	109.0320	0.000	1	109.0320	0.000	1	108.0351	0.055	35	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	C(C[5]C[5]N[5]C)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	107.8345	0.013	2	107.8345	0.000	2	108.0351	0.055	35	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]O)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	C(C[5]C[5]N[5]O)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	107.9940	0.000	1	107.9940	0.000	1	108.0351	0.055	35	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	C(C[5]C[5]O[5]H)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	108.1001	0.165	9	108.1001	0.027	9	108.0351	0.055	35	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]O)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	C(C[5]C[5]O[5]O)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	107.8935	0.059	4	107.8935	0.003	4	108.0351	0.055	35	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5]C)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	C(C[5]C[5]S[5]C)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	107.9960	0.000	1	107.9960	0.000	1	108.0351	0.055	35	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]2)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	C(C[5]C[6a]C[5]2)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	107.8500	0.000	1	107.8500	0.000	1	108.0351	0.055	35	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2C)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	C(C[5]N[5]2C)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	107.9860	0.105	2	107.9860	0.011	2	108.0351	0.055	35	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2Cl)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	C(C[5]O[5]2Cl)(Cl)(H)2	H(CC[5]ClH)	H(CC[5]ClH)	107.8930	0.000	1	107.8930	0.000	1	108.0351	0.055	35	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:F-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]N[5]O[5])(F)(H)2	H(CC[5]FH)	H(CC[5]FH)	C(C[5]C[6a]N[5]O[5])(F)(H)2	H(CC[5]FH)	H(CC[5]FH)	108.2720	0.068	2	108.2720	0.005	2	108.2720	0.005	2	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]As[5]C[5]U)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]As[5]C[5]U)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4662	0.080	5	109.4662	0.006	5	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]B[4,5]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]B[4,5]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4470	0.036	4	109.4470	0.001	4	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]B[5,5]C[6a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]B[5,5]C[6a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4670	0.031	3	109.4670	0.001	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]B[5]2Cd)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]B[5]2Cd)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4695	0.060	2	109.4695	0.004	2	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]B[5]2Fe)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]B[5]2Fe)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4902	0.050	5	109.4902	0.003	5	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]B[5]2Ru)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]B[5]2Ru)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4693	0.063	3	109.4693	0.004	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]B[5]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]B[5]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.8686	1.224	7	108.8686	1.498	7	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]B[5]C[5]Ti)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]B[5]C[5]Ti)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4688	0.049	4	109.4688	0.002	4	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]B[5]P[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]B[5]P[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4587	0.040	11	109.4587	0.002	11	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]B[5x3]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]B[5x3]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4999	0.035	7	109.4999	0.001	7	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5,5]N[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3,5,5]N[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4748	0.037	5	109.4748	0.001	5	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5,6,6]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3,5,6,6]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4300	0.025	2	109.4300	0.001	2	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5,6]C[5,5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3,5,6]C[5,5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4832	0.043	5	109.4832	0.002	5	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5,6]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3,5,6]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4570	0.035	2	109.4570	0.001	2	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5,6]C[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3,5,6]C[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4795	0.046	2	109.4795	0.002	2	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]C[5,5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3,5]C[5,5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4017	0.918	3	109.4017	0.842	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]C[5,6]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3,5]C[5,6]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4808	0.063	6	109.4808	0.004	6	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3,5]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.5130	0.088	2	109.5130	0.008	2	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3,5]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4706	0.048	60	109.4706	0.002	60	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3,5]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3361	0.536	34	109.3361	0.287	34	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]C[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3,5]C[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.8674	1.787	29	108.8674	3.192	29	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]C[6a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3,5]C[6a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	108.9024	1.414	5	108.9024	1.999	5	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]N[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3,5]N[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4651	1.522	9	109.4651	2.316	9	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]N[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3,5]N[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4808	0.049	9	109.4808	0.002	9	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3,5]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4597	0.020	4	109.4597	0.000	4	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3]C[5]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3]C[5]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4602	0.029	5	109.4602	0.001	5	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3]C[5]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3]C[5]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4770	0.037	3	109.4770	0.001	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3x5,6]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3x5,6]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.9621	0.793	9	109.9621	0.628	9	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3x5,6]O[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3x5,6]O[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4321	0.045	7	109.4321	0.002	7	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3x5,6]S[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3x5,6]S[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4680	0.049	3	109.4680	0.002	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3x5]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3x5]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4657	0.043	11	109.4657	0.002	11	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3x5]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3x5]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	110.3960	2.251	11	110.3960	5.068	11	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3x5]O[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3x5]O[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4347	4.685	3	109.4347	21.950	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[4,5,5]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[4,5,5]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4298	0.045	6	109.4298	0.002	6	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[4,5,5]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[4,5,5]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.0242	0.986	6	109.0242	0.973	6	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[4,5,5]S[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[4,5,5]S[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4490	0.027	2	109.4490	0.001	2	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[4,5,6,6]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[4,5,6,6]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.5027	0.825	6	108.5027	0.680	6	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[4,5,6]C[5,6a]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[4,5,6]C[5,6a]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4674	0.046	18	109.4674	0.002	18	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[4,5]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[4,5]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3115	1.589	100	109.3115	2.525	100	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[4,5]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[4,5]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.0482	4.257	16	109.0482	18.126	16	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[4,5]C[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[4,5]C[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.6368	0.572	6	109.6368	0.328	6	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[4,5]N[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[4,5]N[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4638	0.033	4	109.4638	0.001	4	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[4,5]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[4,5]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4651	0.059	10	109.4651	0.004	10	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[4,5]O[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[4,5]O[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4935	0.021	2	109.4935	0.000	2	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[4,5]S[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[4,5]S[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4674	0.032	10	109.4674	0.001	10	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[4]C[5]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[4]C[5]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4570	0.010	3	109.4570	0.000	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,3x6]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,3x6]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.0000	0.851	10	109.0000	0.724	10	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5,6,6]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5,6,6]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4506	0.037	11	109.4506	0.001	11	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5,6,6]N[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5,6,6]N[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4760	0.092	3	109.4760	0.008	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5,6]C[5,6]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5,6]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4665	0.049	2	109.4665	0.002	2	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5,6]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4750	0.035	24	109.4750	0.001	24	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5,6]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.2118	2.518	105	109.2118	6.339	105	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5,6]C[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4700	0.038	15	109.4700	0.001	15	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5,6]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5,6]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.8483	0.754	6	108.8483	0.569	6	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5,6]O[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5,6]O[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4855	0.043	4	109.4855	0.002	4	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]2C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]2C)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.5301	3.600	13	108.5301	12.957	13	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]2H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]2H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4134	0.092	8	109.4134	0.008	8	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5,6]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.1324	3.670	107	109.1324	13.472	107	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5,6]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4765	0.052	78	109.4765	0.003	78	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5,6]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4683	0.036	6	109.4683	0.001	6	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4843	0.026	3	109.4843	0.001	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4154	0.369	239	109.4154	0.136	239	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]Co)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]Co)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.2621	0.584	12	109.2621	0.341	12	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]Cr)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]Cr)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.8308	0.266	12	108.8308	0.071	12	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]Fe)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]Fe)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.1838	0.643	18	109.1838	0.413	18	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3445	0.813	214	109.3445	0.660	214	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]Hf)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]Hf)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.2471	0.598	38	109.2471	0.358	38	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]Ir)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]Ir)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3472	0.835	12	109.3472	0.697	12	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]Li)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]Li)(H)3	H(CC[5]HH)	H(CC[5]HH)	107.2760	3.242	6	107.2760	10.508	6	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]Mn)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]Mn)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.5263	0.796	12	108.5263	0.633	12	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]N)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]N)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4725	0.024	13	109.4725	0.001	13	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]Ni)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]Ni)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.6846	0.633	24	108.6846	0.401	24	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4857	0.035	43	109.4857	0.001	43	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.5010	0.038	3	109.5010	0.001	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]Rh)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]Rh)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4474	0.347	11	109.4474	0.120	11	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]Ru)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]Ru)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4510	0.067	24	109.4510	0.005	24	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]Sn)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]Sn)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.9237	1.607	9	108.9237	2.582	9	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]Ti)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]Ti)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.2485	2.233	121	108.2485	4.988	121	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]U)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]U)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.7012	0.651	44	108.7012	0.423	44	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]V)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]V)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.4689	0.640	12	108.4689	0.409	12	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]Zr)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]Zr)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.9518	1.654	154	108.9518	2.737	154	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[6a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]C[6a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4485	0.052	8	109.4485	0.003	8	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]N[5,5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]N[5,5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.6196	1.210	9	108.6196	1.465	9	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]N[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]N[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.0400	1.523	28	109.0400	2.319	28	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]N[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]N[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4733	0.133	37	109.4733	0.018	37	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4712	0.046	86	109.4712	0.002	86	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]O[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.2801	0.936	85	109.2801	0.876	85	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]O[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.2416	0.921	29	109.2416	0.849	29	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]P[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]P[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4637	0.040	3	109.4637	0.002	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]S[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5]S[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.2500	2.542	6	108.2500	6.462	6	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5a]2C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5a]2C)(H)3	H(CC[5]HH)	H(CC[5]HH)	101.9132	19.836	4	101.9132	393.472	4	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5a]C[5,6]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5a]C[5,6]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4500	0.016	4	109.4500	0.000	4	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5a]C[5,6a]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5a]C[5,6a]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4701	0.024	7	109.4701	0.001	7	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5a]C[5,6a]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5a]C[5,6a]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4710	0.077	6	109.4710	0.006	6	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5a]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5a]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.2035	4.285	63	109.2035	18.358	63	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5a]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5a]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4850	0.020	3	109.4850	0.000	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5a]C[5a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5a]C[5a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	110.1440	9.727	9	110.1440	94.605	9	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5a]C[6a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5a]C[6a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4723	0.023	3	109.4723	0.001	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5a]N[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5a]N[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4653	0.071	12	109.4653	0.005	12	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5a]N[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5a]N[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4790	0.025	2	109.4790	0.001	2	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5a]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,5a]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4808	0.032	9	109.4808	0.001	9	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6,6]C[5,5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6,6]C[5,5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4706	0.028	27	109.4706	0.001	27	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6,6]C[5,5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6,6]C[5,5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4623	0.031	3	109.4623	0.001	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6,6]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6,6]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.9103	1.921	10	108.9103	3.689	10	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6,6]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6,6]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.0440	1.070	18	109.0440	1.145	18	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6,6]N[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6,6]N[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4453	0.022	4	109.4453	0.000	4	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6,6]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6,6]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4738	0.040	40	109.4738	0.002	40	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6,6]O[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6,6]O[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4817	0.065	12	109.4817	0.004	12	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]2C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]2C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4697	0.054	12	109.4697	0.003	12	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]2H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]2H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4402	1.650	9	109.4402	2.722	9	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]2Zr)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]2Zr)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4740	0.041	2	109.4740	0.002	2	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3972	1.249	245	109.3972	1.560	245	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]C[6])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]C[6])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4644	0.034	5	109.4644	0.001	5	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Cr)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]Cr)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4594	0.046	17	109.4594	0.002	17	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]F)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]F)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4275	0.008	2	109.4275	0.000	2	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Fe)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]Fe)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4762	0.063	10	109.4762	0.004	10	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3749	1.170	369	109.3749	1.369	369	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Hf)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]Hf)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.8014	1.012	10	108.8014	1.024	10	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]N)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]N)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4854	0.455	21	109.4854	0.207	21	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Ni)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]Ni)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4680	0.042	8	109.4680	0.002	8	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3167	1.180	236	109.3167	1.392	236	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Pd)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]Pd)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4803	0.065	3	109.4803	0.004	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Re)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]Re)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4624	0.039	5	109.4624	0.002	5	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Rh)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]Rh)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4910	0.058	16	109.4910	0.003	16	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Ru)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]Ru)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4698	0.040	20	109.4698	0.002	20	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Se)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]Se)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4607	0.064	3	109.4607	0.004	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Ti)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]Ti)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4966	0.049	7	109.4966	0.002	7	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Zr)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]Zr)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4105	0.254	45	109.4105	0.065	45	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[6a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]C[6a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4780	0.019	3	109.4780	0.000	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[6a]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]C[6a]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4722	0.066	5	109.4722	0.004	5	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]N[5,5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]N[5,5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4807	0.038	18	109.4807	0.001	18	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]N[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]N[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4451	0.497	55	109.4451	0.247	55	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]N[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]N[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4525	0.096	6	109.4525	0.009	6	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3754	1.016	197	109.3754	1.032	197	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]O[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]O[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3901	0.900	53	109.3901	0.811	53	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]O[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]O[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4600	0.034	4	109.4600	0.001	4	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]S[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]S[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4767	0.044	6	109.4767	0.002	6	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]S[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]S[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4707	0.029	3	109.4707	0.001	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]Si[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6]Si[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	107.8023	2.737	3	107.8023	7.489	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]2C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4876	0.866	271	109.4876	0.749	271	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2C[6a])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]2C[6a])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.2130	3.675	3	109.2130	13.507	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2Ge)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]2Ge)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4500	0.063	5	109.4500	0.004	5	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]2H)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.9893	2.725	16	108.9893	7.425	16	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2O)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]2O)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4664	0.031	10	109.4664	0.001	10	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2Si)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]2Si)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.5065	0.046	2	109.5065	0.002	2	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2Sn)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]2Sn)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.8503	0.662	3	108.8503	0.439	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[3,5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]C[3,5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4452	0.029	6	109.4452	0.001	6	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5,5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4767	0.061	67	109.4767	0.004	67	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5,5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4386	0.023	8	109.4386	0.001	8	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5,5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4733	0.049	9	109.4733	0.002	9	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.1005	2.519	307	109.1005	6.347	307	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,6]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4889	0.051	25	109.4889	0.003	25	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,6]N)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]N)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4953	0.083	3	109.4953	0.007	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4557	0.034	3	109.4557	0.001	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4273	0.952	1017	109.4273	0.907	1017	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.5665	0.833	85	109.5665	0.693	85	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]N)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]N)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4680	0.039	23	109.4680	0.002	23	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3695	1.282	44	109.3695	1.644	44	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]P)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]P)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4595	0.054	8	109.4595	0.003	8	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]S)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]S)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4725	0.050	6	109.4725	0.002	6	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4654	0.043	8	109.4654	0.002	8	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[6,6]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]C[6,6]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4752	0.059	9	109.4752	0.003	9	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]C[6a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4795	0.037	39	109.4795	0.001	39	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[6a]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]C[6a]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4697	0.033	3	109.4697	0.001	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[6a]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]C[6a]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4934	0.079	5	109.4934	0.006	5	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]N[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3492	1.797	114	109.3492	3.229	114	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]N[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.5013	0.524	36	109.5013	0.275	36	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]N[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4750	0.091	3	109.4750	0.008	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]N[5a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4767	0.018	3	109.4767	0.000	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4322	0.217	111	109.4322	0.047	111	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]O[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]O[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4690	0.053	23	109.4690	0.003	23	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]O[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]O[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4611	0.013	8	109.4611	0.000	8	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]Si[5,5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5,6a]Si[5,5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4620	0.018	2	109.4620	0.000	2	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Al)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Al)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4732	0.065	184	109.4732	0.004	184	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2As)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2As)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4416	0.048	5	109.4416	0.002	5	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2B)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2B)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4828	0.061	9	109.4828	0.004	9	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ba)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Ba)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4639	0.073	66	109.4639	0.005	66	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Be)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Be)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4691	0.052	38	109.4691	0.003	38	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Bi)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Bi)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4908	0.071	5	109.4908	0.005	5	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Br)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Br)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4571	0.045	7	109.4571	0.002	7	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3317	1.256	2631	109.3317	1.578	2631	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C[6])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2C[6])(H)3	H(CC[5]HH)	H(CC[5]HH)	108.5328	2.983	8	108.5328	8.900	8	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ca)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Ca)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4629	0.052	47	109.4629	0.003	47	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ce)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Ce)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.5462	2.162	40	108.5462	4.672	40	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Cl)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Cl)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4655	0.011	2	109.4655	0.000	2	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Co)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Co)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4594	0.372	1361	109.4594	0.138	1361	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Cr)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Cr)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.1417	1.752	583	109.1417	3.071	583	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Cu)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Cu)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4987	0.065	19	109.4987	0.004	19	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Dy)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Dy)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.3889	2.298	155	108.3889	5.279	155	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Er)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Er)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.5344	0.055	5	109.5344	0.003	5	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Eu)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Eu)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4751	0.073	36	109.4751	0.005	36	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2F)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2F)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.8263	0.905	9	109.8263	0.820	9	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Fe)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.2977	1.627	4148	109.2977	2.648	4148	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ga)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Ga)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4573	0.062	26	109.4573	0.004	26	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Gd)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Gd)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4641	0.060	26	109.4641	0.004	26	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3735	1.476	1067	109.3735	2.179	1067	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Hf)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Hf)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4525	0.334	471	109.4525	0.111	471	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ho)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Ho)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4733	0.041	4	109.4733	0.002	4	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2In)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2In)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4488	0.083	10	109.4488	0.007	10	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ir)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Ir)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3739	1.035	9709	109.3739	1.072	9709	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2La)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2La)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.1550	3.195	210	108.1550	10.210	210	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Li)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Li)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.1675	1.285	22	109.1675	1.651	22	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Lu)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Lu)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3687	1.082	132	109.3687	1.171	132	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Mg)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Mg)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4808	0.037	9	109.4808	0.001	9	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Mn)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Mn)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3164	1.070	182	109.3164	1.145	182	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Mo)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Mo)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4420	0.440	1254	109.4420	0.194	1254	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2N)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2N)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4633	1.009	108	109.4633	1.018	108	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4962	1.461	24	109.4962	2.135	24	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Nd)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Nd)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4820	0.105	2	109.4820	0.011	2	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ni)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Ni)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4347	0.469	154	109.4347	0.220	154	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4326	0.761	285	109.4326	0.578	285	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.2515	1.363	112	109.2515	1.859	112	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Os)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Os)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.1168	2.402	348	109.1168	5.771	348	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2P)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2P)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4497	0.039	17	109.4497	0.002	17	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2P[3])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2P[3])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4697	0.045	40	109.4697	0.002	40	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2P[4])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2P[4])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4500	0.082	3	109.4500	0.007	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2P[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2P[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4700	0.047	2	109.4700	0.002	2	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Pb)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Pb)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4609	0.060	9	109.4609	0.004	9	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Pr)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Pr)(H)3	H(CC[5]HH)	H(CC[5]HH)	107.9972	2.028	20	107.9972	4.112	20	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Pt)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Pt)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4639	0.046	20	109.4639	0.002	20	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Re)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Re)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4001	0.525	186	109.4001	0.276	186	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Rh)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Rh)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.2989	1.188	6000	109.2989	1.411	6000	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ru)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Ru)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3045	1.566	5880	109.3045	2.452	5880	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2S)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2S)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4582	0.044	9	109.4582	0.002	9	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2S[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2S[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4595	0.050	6	109.4595	0.002	6	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Sb)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Sb)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.9864	1.155	20	108.9864	1.333	20	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Sc)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Sc)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.5170	2.254	498	108.5170	5.081	498	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Si)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Si)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.5685	1.495	20	108.5685	2.234	20	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Sm)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Sm)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.4538	3.104	626	108.4538	9.634	626	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Sn)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Sn)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4534	0.066	19	109.4534	0.004	19	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Sr)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Sr)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4736	0.069	59	109.4736	0.005	59	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ta)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Ta)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3444	1.052	473	109.3444	1.107	473	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Tb)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Tb)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4837	0.065	56	109.4837	0.004	56	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Th)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Th)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4511	0.768	333	109.4511	0.590	333	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ti)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Ti)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.1634	1.865	2951	109.1634	3.478	2951	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Tm)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Tm)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4698	0.057	27	109.4698	0.003	27	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2U)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2U)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.8766	1.884	1178	108.8766	3.549	1178	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2V)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2V)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.5361	1.753	89	108.5361	3.071	89	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2W)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2W)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3396	1.735	1094	109.3396	3.009	1094	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Y)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Y)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.8428	2.694	528	108.8428	7.258	528	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Yb)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Yb)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4631	0.088	188	109.4631	0.008	188	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Zn)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Zn)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4719	0.065	282	109.4719	0.004	282	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Zr)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Zr)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.2085	1.607	1461	109.2085	2.581	1461	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]3)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]3)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.1333	1.028	45	109.1333	1.058	45	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]C[6]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]C[6]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4623	0.051	13	109.4623	0.003	13	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]C[6]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]C[6]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4726	0.047	38	109.4726	0.002	38	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]C[6]S[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]C[6]S[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4643	0.050	3	109.4643	0.003	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4590	1.556	4708	109.4590	2.421	4708	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]Co)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]N[5]Co)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4623	0.042	9	109.4623	0.002	9	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]Fe)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]N[5]Fe)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4585	0.069	12	109.4585	0.005	12	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3842	0.691	562	109.3842	0.477	562	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]Mo)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]N[5]Mo)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4669	0.054	15	109.4669	0.003	15	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]N)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]N[5]N)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4677	0.028	8	109.4677	0.001	8	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]N[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4584	0.561	46	109.4584	0.314	46	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]N[5]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4683	0.021	3	109.4683	0.000	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]P)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]N[5]P)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.6458	1.845	12	108.6458	3.405	12	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]Re)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]N[5]Re)(H)3	H(CC[5]HH)	H(CC[5]HH)	111.6403	5.450	3	111.6403	29.704	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]Ru)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]N[5]Ru)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4493	0.039	3	109.4493	0.002	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]Ti)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]N[5]Ti)(H)3	H(CC[5]HH)	H(CC[5]HH)	107.9430	4.169	5	107.9430	17.383	5	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]U)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]N[5]U)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4822	0.067	6	109.4822	0.004	6	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]W)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]N[5]W)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.8749	1.024	9	108.8749	1.049	9	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]O[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4852	0.015	6	109.4852	0.000	6	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4226	0.911	4529	109.4226	0.830	4529	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]F)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]O[5]F)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4497	0.034	3	109.4497	0.001	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4391	0.846	390	109.4391	0.715	390	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]N)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]O[5]N)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.5777	0.189	9	109.5777	0.036	9	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]O[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3022	1.384	95	109.3022	1.914	95	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]Pd)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]O[5]Pd)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4710	0.009	3	109.4710	0.000	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]Re)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]O[5]Re)(H)3	H(CC[5]HH)	H(CC[5]HH)	107.0380	2.254	5	107.0380	5.079	5	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]S)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]O[5]S)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.5670	2.429	3	108.5670	5.900	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]W)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]O[5]W)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.5060	0.069	2	109.5060	0.005	2	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]P[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]P[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4893	0.045	9	109.4893	0.002	9	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]P[5]Co)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]P[5]Co)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4740	0.010	2	109.4740	0.000	2	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]P[5]Cr)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]P[5]Cr)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4845	0.014	4	109.4845	0.000	4	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]P[5]Fe)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]P[5]Fe)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4687	0.017	6	109.4687	0.000	6	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]P[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4548	0.340	683	109.4548	0.116	683	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]P[5]Nd)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]P[5]Nd)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4793	0.036	6	109.4793	0.001	6	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]P[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]P[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4754	0.017	5	109.4754	0.000	5	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]P[5]Ru)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]P[5]Ru)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4203	0.115	3	109.4203	0.013	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]P[5]Sm)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]P[5]Sm)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4670	0.065	8	109.4670	0.004	8	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]P[5]W)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]P[5]W)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4460	0.051	3	109.4460	0.003	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]S[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	108.1992	4.419	6	108.1992	19.525	6	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]S[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3446	1.340	137	109.3446	1.795	137	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]S[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	110.1090	3.229	25	110.1090	10.428	25	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]S[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4618	0.037	5	109.4618	0.001	5	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5a]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5a]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4763	0.042	36	109.4763	0.002	36	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5a]C[5]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5a]C[5]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.0534	1.187	9	109.0534	1.409	9	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5a]C[5]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5a]C[5]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4720	0.028	5	109.4720	0.001	5	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5a]N[5]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5a]N[5]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4597	0.057	3	109.4597	0.003	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5x3,5x5,20x6]C[5,6a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5x3,5x5,20x6]C[5,6a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4953	0.023	3	109.4953	0.001	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5x3,6x5,20x6]C[5,5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5x3,6x5,20x6]C[5,5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4618	0.043	23	109.4618	0.002	23	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5x3,6x5,20x6]C[5,5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5x3,6x5,20x6]C[5,5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.5293	0.088	3	109.5293	0.008	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[6,6]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[6,6]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	107.6623	1.583	3	107.6623	2.506	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[6]N[5]S[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[6]N[5]S[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4457	0.038	3	109.4457	0.001	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[6]O[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[6]O[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4755	0.032	4	109.4755	0.001	4	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[6a]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4361	0.611	81	109.4361	0.373	81	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[6a]C[5]N[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4683	0.042	109	109.4683	0.002	109	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[6a]C[5]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4752	0.043	40	109.4752	0.002	40	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]N[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[6a]N[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4810	0.032	10	109.4810	0.001	10	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]N[5]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[6a]N[5]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4705	0.030	23	109.4705	0.001	23	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]N[5]S[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[6a]N[5]S[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4830	0.026	5	109.4830	0.001	5	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]O[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[6a]O[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.2536	0.455	7	109.2536	0.207	7	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]O[5]P[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[6a]O[5]P[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4657	0.060	3	109.4657	0.004	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]Ga[3,3]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]Ga[3,3]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4780	0.038	2	109.4780	0.001	2	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]Ga[3]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]Ga[3]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4640	0.016	2	109.4640	0.000	2	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]Ga[4]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]Ga[4]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4710	0.064	12	109.4710	0.004	12	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]Ge[3x5]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]Ge[3x5]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4370	0.083	3	109.4370	0.007	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]Ge[5]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]Ge[5]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4980	0.098	15	109.4980	0.010	15	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[3,5]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[3,5]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4696	0.016	5	109.4696	0.000	5	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[3,5]N[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[3,5]N[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.5200	2.094	19	109.5200	4.385	19	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[3x5]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[3x5]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4738	0.052	5	109.4738	0.003	5	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5,6]N[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,5,6]N[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4270	0.028	3	109.4270	0.001	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,5]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4134	1.435	157	109.4134	2.059	157	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,5]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.2468	1.078	26	109.2468	1.163	26	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]C[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,5]C[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4592	0.082	5	109.4592	0.007	5	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]C[6a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,5]C[6a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4810	0.016	3	109.4810	0.000	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]C[6a]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,5]C[6a]O[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4757	0.049	3	109.4757	0.002	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]N[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,5]N[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4720	0.035	5	109.4720	0.001	5	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,5]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.7739	0.700	27	109.7739	0.490	27	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]S[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,5]S[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4857	0.030	3	109.4857	0.001	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5a]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,5a]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4802	0.045	6	109.4802	0.002	6	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6,6a]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,6,6a]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4715	0.044	23	109.4715	0.002	23	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,6]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4337	1.215	58	109.4337	1.476	58	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,6]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.0027	2.803	30	109.0027	7.855	30	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6]C[5a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,6]C[5a]C[5])(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3363	3.286	3	109.3363	10.798	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,6]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4662	0.044	10	109.4662	0.002	10	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6]S[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,6]S[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4655	0.022	8	109.4655	0.000	8	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6a]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,6a]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4674	0.029	13	109.4674	0.001	13	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6a]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,6a]C[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4779	0.054	9	109.4779	0.003	9	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6a]N[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5,6a]N[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4790	0.006	2	109.4790	0.000	2	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5]2C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3114	3.594	148	109.3114	12.917	148	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5]2H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4693	0.024	6	109.4693	0.001	6	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2O)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5]2O)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4758	0.036	4	109.4758	0.001	4	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2Pd)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5]2Pd)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4650	0.025	4	109.4650	0.001	4	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5]O[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.3879	1.067	296	109.3879	1.139	296	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5]O[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4855	0.038	4	109.4855	0.001	4	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5]O[5]O)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4410	0.059	3	109.4410	0.003	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]S[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]N[5]S[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4686	0.039	20	109.4686	0.002	20	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.5030	1.270	4234	109.5030	1.612	4234	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]O[5]2H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4710	0.024	2	109.4710	0.001	2	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2O)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]O[5]2O)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.1534	1.670	9	109.1534	2.788	9	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]P[5,5]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]P[5,5]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.5035	0.009	2	109.5035	0.000	2	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]P[5,6]Ge[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]P[5,6]Ge[5]H)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4627	0.028	3	109.4627	0.001	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]S[5]2C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]S[5]2C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4788	0.070	28	109.4788	0.005	28	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]Si[3,3]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]Si[3,3]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4733	0.078	3	109.4733	0.006	3	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]Si[3]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]Si[3]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	107.6830	0.358	2	107.6830	0.128	2	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]Si[4]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]Si[4]C[5]2)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4666	0.020	9	109.4666	0.000	9	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]Si[5,5]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]Si[5,5]C[5]C)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4685	0.053	2	109.4685	0.003	2	109.3227	1.991	68755	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]C[5,5]N[5,5]H)(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	C(C[5]C[5,5]N[5,5]H)(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	107.8560	0.000	1	107.8560	0.000	1	107.9461	0.192	36	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]H)(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	C(C[5]C[5,5]O[5]H)(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	107.9320	0.191	3	107.9320	0.036	3	107.9461	0.192	36	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]C[5,6]O[5]H)(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	C(C[5]C[5,6]O[5]H)(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	107.4180	0.000	1	107.4180	0.000	1	107.9461	0.192	36	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	C(C[5]C[5,6a]C[6a]C[5])(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	107.8450	0.000	1	107.8450	0.000	1	107.9461	0.192	36	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]C[5]2C)(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	C(C[5]C[5]2C)(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	107.5895	0.105	2	107.5895	0.011	2	107.9461	0.192	36	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]C[5]2H)(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	C(C[5]C[5]2H)(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	107.7540	0.000	1	107.7540	0.000	1	107.9461	0.192	36	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]C[5]2Ru)(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	C(C[5]C[5]2Ru)(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	108.4530	0.000	1	108.4530	0.000	1	107.9461	0.192	36	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	C(C[5]C[5]N[5]C)(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	107.8500	0.000	1	107.8500	0.000	1	107.9461	0.192	36	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	C(C[5]C[5]N[5]H)(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	107.8549	0.314	11	107.8549	0.099	11	107.9461	0.192	36	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	C(C[5]C[5]O[5]C)(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	107.5500	0.257	2	107.5500	0.066	2	107.9461	0.192	36	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	C(C[5]C[5]O[5]H)(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	108.2179	0.480	7	108.2179	0.230	7	107.9461	0.192	36	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	C(C[5]C[6a]C[5]N[5])(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	107.7785	0.078	2	107.7785	0.006	2	107.9461	0.192	36	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	C(C[5]C[6a]C[5]O[5])(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	107.6540	0.000	1	107.6540	0.000	1	107.9461	0.192	36	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[5]N[5,6]C[5]H)(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	C(C[5]N[5,6]C[5]H)(H)2(I)	H(CC[5]HI)	H(CC[5]HI)	108.8350	0.826	2	108.8350	0.682	2	107.9461	0.192	36	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:O-1:	C-4:	C-4:	C(C[5]C[5]2Ru)(H)2(O)	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2Ru)(H)2(O)	H(CC[5]HO)	H(CC[5]HO)	99.4035	0.000	1	99.4035	0.000	1	107.8563	5.669	16	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:O-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(H)2(O)	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]N[5]C)(H)2(O)	H(CC[5]HO)	H(CC[5]HO)	108.0200	0.000	1	108.0200	0.000	1	107.8563	5.669	16	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:O-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(H)2(O)	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(H)2(O)	H(CC[5]HO)	H(CC[5]HO)	109.6370	0.000	1	109.6370	0.000	1	107.8563	5.669	16	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:O-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(H)2(O)	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(H)2(O)	H(CC[5]HO)	H(CC[5]HO)	107.7920	0.071	2	107.7920	0.005	2	107.8563	5.669	16	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:O-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(H)2(O)	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(H)2(O)	H(CC[5]HO)	H(CC[5]HO)	108.9000	0.859	6	108.9000	0.737	6	107.8563	5.669	16	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:O-1:	C-4:	C-4:	C(C[5]N[5,6]C[5]H)(H)2(O)	H(CC[5]HO)	H(CC[5]HO)	C(C[5]N[5,6]C[5]H)(H)2(O)	H(CC[5]HO)	H(CC[5]HO)	107.9595	0.194	4	107.9595	0.038	4	107.8563	5.669	16	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:O-1:	C-4:	C-4:	C(C[5]O[5]S[5]H)(H)2(O)	H(CC[5]HO)	H(CC[5]HO)	C(C[5]O[5]S[5]H)(H)2(O)	H(CC[5]HO)	H(CC[5]HO)	107.8190	0.000	1	107.8190	0.000	1	107.8563	5.669	16	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]O[6]2)(Br)(H)2	H(CC[6,6]BrH)	H(CC[6,6]BrH)	C(C[6,6]C[6,6]O[6]2)(Br)(H)2	H(CC[6,6]BrH)	H(CC[6,6]BrH)	107.7570	0.000	1	107.7570	0.000	1	107.7570	0.000	1	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]O)(Cl)(H)2	H(CC[6,6]ClH)	H(CC[6,6]ClH)	C(C[6,6]C[3x6]C[6,6]O)(Cl)(H)2	H(CC[6,6]ClH)	H(CC[6,6]ClH)	108.7110	1.389	2	108.7110	1.929	2	108.7110	1.929	2	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3,3x6]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[3,3x6]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4888	0.072	6	109.4888	0.005	6	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4522	0.042	13	109.4522	0.002	13	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3,6,6]C[5,6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[3,6,6]C[5,6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4710	0.007	2	109.4710	0.000	2	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4634	0.049	66	109.4634	0.002	66	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3,6,6]C[6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[3,6,6]C[6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4255	0.204	54	109.4255	0.041	54	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3,6]C[6,6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[3,6]C[6,6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4717	0.066	12	109.4717	0.004	12	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3,6]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[3,6]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.2055	0.977	11	109.2055	0.955	11	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]2C)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[3x6]2C)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4117	0.472	62	109.4117	0.223	62	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]2C[5])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[3x6]2C[5])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4603	0.064	3	109.4603	0.004	3	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]2H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[3x6]2H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.6413	0.741	23	109.6413	0.549	23	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]2O)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[3x6]2O)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4933	0.064	3	109.4933	0.004	3	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[4x6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[4x6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4650	0.035	2	109.4650	0.001	2	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[5,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[5,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4614	0.039	8	109.4614	0.002	8	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]C)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6]C)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4114	1.075	68	109.4114	1.156	68	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4696	0.051	110	109.4696	0.003	110	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]C[6a])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6]C[6a])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4670	0.000	1	109.4670	0.000	1	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4710	0.050	86	109.4710	0.002	86	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]O)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6]O)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.5073	1.136	42	109.5073	1.290	42	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4755	0.046	54	109.4755	0.002	54	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6]O[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[3x6]C[6]O[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.3178	0.928	21	109.3178	0.860	21	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]N[6,6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[3x6]N[6,6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4577	0.034	3	109.4577	0.001	3	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]N[6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[3x6]N[6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	108.2820	0.571	3	108.2820	0.326	3	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]O[6,6]C)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[3x6]O[6,6]C)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.3947	2.789	9	109.3947	7.778	9	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]O[6,6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[3x6]O[6,6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4472	0.034	5	109.4472	0.001	5	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[4,6,6]C[3x6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[4,6,6]C[3x6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.5395	0.012	2	109.5395	0.000	2	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.1901	2.235	54	109.1901	4.997	54	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[4,6,6]C[6,6]O)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[4,6,6]C[6,6]O)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4927	0.040	3	109.4927	0.002	3	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[4,6,6]C[6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[4,6,6]C[6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4660	0.024	2	109.4660	0.001	2	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[4,6,6]C[6]N[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[4,6,6]C[6]N[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4615	0.018	2	109.4615	0.000	2	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[4,6,6]C[6]O[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[4,6,6]C[6]O[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4652	0.027	6	109.4652	0.001	6	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[4x6]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[4x6]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4784	0.101	5	109.4784	0.010	5	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[4x6]C[6,6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[4x6]C[6,6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4709	0.036	38	109.4709	0.001	38	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[4x6]O[6,6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[4x6]O[6,6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4860	0.037	3	109.4860	0.001	3	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,3x6]C[3x6]O)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5,3x6]C[3x6]O)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4405	0.045	2	109.4405	0.002	2	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,3x6]C[6,6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5,3x6]C[6,6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4722	0.032	9	109.4722	0.001	9	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,3x6]C[6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5,3x6]C[6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4689	0.053	8	109.4689	0.003	8	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,3x6]O[6,6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5,3x6]O[6,6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4806	0.045	7	109.4806	0.002	7	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,5,3x6]C[6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5,5,3x6]C[6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4935	0.042	2	109.4935	0.002	2	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,5,6,6]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5,5,6,6]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	108.1740	3.103	3	108.1740	9.628	3	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,5,6]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5,5,6]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.2031	0.969	9	109.2031	0.940	9	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6,6]2C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5,6,6]2C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4697	0.069	3	109.4697	0.005	3	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6,6]2H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5,6,6]2H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4750	0.020	5	109.4750	0.000	5	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6,6]C[3x6]C)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5,6,6]C[3x6]C)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	108.9443	1.162	16	108.9443	1.351	16	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6,6]C[4x6]C)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5,6,6]C[4x6]C)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4572	0.032	5	109.4572	0.001	5	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6,6]C[4x6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5,6,6]C[4x6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4574	0.048	7	109.4574	0.002	7	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6,6]C[4x6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5,6,6]C[4x6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4620	0.048	10	109.4620	0.002	10	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6,6]C[5,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5,6,6]C[5,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4300	0.112	2	109.4300	0.012	2	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4710	0.044	97	109.4710	0.002	97	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6,6]C[6,6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5,6,6]C[6,6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4715	0.016	2	109.4715	0.000	2	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6,6]C[6,6]N[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5,6,6]C[6,6]N[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4758	0.032	4	109.4758	0.001	4	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6,6]C[6,6]O[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5,6,6]C[6,6]O[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4837	0.034	3	109.4837	0.001	3	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6,6]C[6,6a]C[3,6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5,6,6]C[6,6a]C[3,6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4693	0.068	3	109.4693	0.005	3	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6,6]C[6,6a]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5,6,6]C[6,6a]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4845	0.024	4	109.4845	0.001	4	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6,6]C[6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5,6,6]C[6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.2745	1.193	63	109.2745	1.422	63	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6,6]C[6]N[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5,6,6]C[6]N[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	108.9017	0.598	3	108.9017	0.357	3	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6,6]C[6]O[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5,6,6]C[6]O[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4738	0.062	13	109.4738	0.004	13	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6,6]N[3x6]C)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5,6,6]N[3x6]C)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4895	0.036	4	109.4895	0.001	4	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6]C[6,6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5,6]C[6,6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	107.0958	6.309	6	107.0958	39.808	6	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.3777	0.814	420	109.3777	0.663	420	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5a,6,6]C[3,6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5a,6,6]C[3,6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4700	0.022	3	109.4700	0.000	3	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5a,6,6]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5a,6,6]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4836	0.064	5	109.4836	0.004	5	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5a,6,6]C[6,6a]C[3,6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5a,6,6]C[6,6a]C[3,6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4660	0.057	2	109.4660	0.003	2	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4688	0.043	21	109.4688	0.002	21	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5a,6]C[3x6]O[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5a,6]C[3x6]O[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	108.8863	1.164	6	108.8863	1.355	6	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4663	0.045	26	109.4663	0.002	26	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5a,6]C[6,6a]C[3x6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5a,6]C[6,6a]C[3x6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4507	0.018	3	109.4507	0.000	3	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5a,6]C[6,6a]C[6,6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5a,6]C[6,6a]C[6,6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4745	0.033	6	109.4745	0.001	6	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5a,6]C[6,6a]N[6,6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5a,6]C[6,6a]N[6,6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4883	0.012	3	109.4883	0.000	3	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5a,6]N[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5a,6]N[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.5256	0.579	9	109.5256	0.335	9	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5a,6]N[6,6]O[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[5a,6]N[6,6]O[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4690	0.014	2	109.4690	0.000	2	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6,6a]C[4,6,6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[6,6,6a]C[4,6,6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4850	0.126	3	109.4850	0.016	3	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6,6a]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[6,6,6a]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4730	0.000	1	109.4730	0.000	1	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6,6a]C[6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[6,6,6a]C[6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4673	0.025	3	109.4673	0.001	3	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]2C)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[6,6]2C)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4163	0.415	52	109.4163	0.172	52	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]2C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[6,6]2C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.3681	1.124	3232	109.3681	1.263	3232	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]2C[6a])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[6,6]2C[6a])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4543	0.089	3	109.4543	0.008	3	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]2H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[6,6]2H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	108.7147	1.661	14	108.7147	2.760	14	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]2O)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[6,6]2O)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4470	0.024	5	109.4470	0.001	5	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]2O[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[6,6]2O[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4680	0.060	5	109.4680	0.004	5	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]C[6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[6,6]C[6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.3904	1.274	1197	109.3904	1.622	1197	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]C[6]N[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[6,6]C[6]N[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	108.7012	1.656	27	108.7012	2.744	27	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]C[6]O[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[6,6]C[6]O[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4282	0.320	260	109.4282	0.102	260	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]C[6]S[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[6,6]C[6]S[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	107.5344	3.025	5	107.5344	9.151	5	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[6,6]N[3x6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4860	0.085	3	109.4860	0.007	3	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]N[4x6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[6,6]N[4x6]H)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4639	0.046	15	109.4639	0.002	15	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]N[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[6,6]N[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4877	0.045	3	109.4877	0.002	3	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]N[6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[6,6]N[6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4804	0.034	14	109.4804	0.001	14	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]N[6]O[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[6,6]N[6]O[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.1944	2.752	40	109.1944	7.572	40	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]O[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[6,6]O[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4762	0.027	6	109.4762	0.001	6	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]O[6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[6,6]O[6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4917	0.021	4	109.4917	0.000	4	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6a]2C[6,6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[6,6a]2C[6,6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4610	0.074	5	109.4610	0.005	5	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4077	0.671	302	109.4077	0.450	302	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6a]O[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[6,6a]O[6,6]C[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4655	0.036	13	109.4655	0.001	13	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6a]O[6,6]O[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]C[6,6a]O[6,6]O[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4734	0.040	14	109.4734	0.002	14	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]N[5a,6]C[6,6]O[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]N[5a,6]C[6,6]O[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4767	0.033	11	109.4767	0.001	11	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]N[6,6]C[6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]N[6,6]C[6]2)(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	108.7957	0.447	6	108.7957	0.200	6	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]N[6,6]C[6]O[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]N[6,6]C[6]O[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.4740	0.044	3	109.4740	0.002	3	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]O[6,6]C[6]O[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	C(C[6,6]O[6,6]C[6]O[6])(H)3	H(CC[6,6]HH)	H(CC[6,6]HH)	109.7113	4.623	15	109.7113	21.374	15	109.3787	1.194	6839	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6,6]H)(Br)(H)2	H(CC[6]BrH)	H(CC[6]BrH)	C(C[6]C[6,6a]C[6,6]H)(Br)(H)2	H(CC[6]BrH)	H(CC[6]BrH)	107.8180	0.000	1	107.8180	0.000	1	108.0135	0.182	17	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(Br)(H)2	H(CC[6]BrH)	H(CC[6]BrH)	C(C[6]C[6,6a]C[6]C)(Br)(H)2	H(CC[6]BrH)	H(CC[6]BrH)	108.0420	0.000	1	108.0420	0.000	1	108.0135	0.182	17	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Br)(Br)(H)2	H(CC[6]BrH)	H(CC[6]BrH)	C(C[6]C[6]2Br)(Br)(H)2	H(CC[6]BrH)	H(CC[6]BrH)	107.4730	0.000	1	107.4730	0.000	1	108.0135	0.182	17	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Cr)(Br)(H)2	H(CC[6]BrH)	H(CC[6]BrH)	C(C[6]C[6]2Cr)(Br)(H)2	H(CC[6]BrH)	H(CC[6]BrH)	108.3210	0.017	2	108.3210	0.000	2	108.0135	0.182	17	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(Br)(H)2	H(CC[6]BrH)	H(CC[6]BrH)	C(C[6]C[6]2H)(Br)(H)2	H(CC[6]BrH)	H(CC[6]BrH)	108.2887	0.994	3	108.2887	0.989	3	108.0135	0.182	17	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2N)(Br)(H)2	H(CC[6]BrH)	H(CC[6]BrH)	C(C[6]C[6]2N)(Br)(H)2	H(CC[6]BrH)	H(CC[6]BrH)	107.7540	0.000	1	107.7540	0.000	1	108.0135	0.182	17	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(Br)(H)2	H(CC[6]BrH)	H(CC[6]BrH)	C(C[6]C[6]N[6]H)(Br)(H)2	H(CC[6]BrH)	H(CC[6]BrH)	108.0080	0.075	6	108.0080	0.006	6	108.0135	0.182	17	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]C)(Br)(H)2	H(CC[6]BrH)	H(CC[6]BrH)	C(C[6]C[6]O[6]C)(Br)(H)2	H(CC[6]BrH)	H(CC[6]BrH)	107.8080	0.000	1	107.8080	0.000	1	108.0135	0.182	17	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(Br)(H)2	H(CC[6]BrH)	H(CC[6]BrH)	C(C[6]C[6]O[6]H)(Br)(H)2	H(CC[6]BrH)	H(CC[6]BrH)	107.7790	0.000	1	107.7790	0.000	1	108.0135	0.182	17	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6]H)(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	C(C[6]C[5a,6]C[6]H)(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	108.0600	0.000	1	108.0600	0.000	1	108.4623	0.912	27	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	C(C[6]C[6,6a]C[6]H)(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	107.8530	0.000	1	107.8530	0.000	1	108.4623	0.912	27	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	107.7660	0.025	3	107.7660	0.001	3	108.4623	0.912	27	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Cl)(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	C(C[6]C[6]2Cl)(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	107.8510	0.000	1	107.8510	0.000	1	108.4623	0.912	27	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2F)(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	C(C[6]C[6]2F)(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	110.9010	0.000	1	110.9010	0.000	1	108.4623	0.912	27	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O)(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	C(C[6]C[6]2O)(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	107.7870	0.123	2	107.7870	0.015	2	108.4623	0.912	27	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	C(C[6]C[6]N[6]H)(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	108.6763	0.947	6	108.6763	0.897	6	108.4623	0.912	27	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	C(C[6]C[6]O[6]H)(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	108.7367	1.037	9	108.7367	1.074	9	108.4623	0.912	27	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6a]C[6]O[6])(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	C(C[6]C[6a]C[6]O[6])(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	108.0900	0.000	1	108.0900	0.000	1	108.4623	0.912	27	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[5a,6]C[6]O)(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	C(C[6]N[5a,6]C[6]O)(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	107.9850	0.000	1	107.9850	0.000	1	108.4623	0.912	27	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]2H)(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	C(C[6]N[6]2H)(Cl)(H)2	H(CC[6]ClH)	H(CC[6]ClH)	108.1810	0.000	1	108.1810	0.000	1	108.4623	0.912	27	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:F-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(F)(H)2	H(CC[6]FH)	H(CC[6]FH)	C(C[6]C[6]2C)(F)(H)2	H(CC[6]FH)	H(CC[6]FH)	110.0507	2.925	4	110.0507	8.553	4	110.0033	6.317	6	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:F-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(F)(H)2	H(CC[6]FH)	H(CC[6]FH)	C(C[6]C[6]O[6]H)(F)(H)2	H(CC[6]FH)	H(CC[6]FH)	111.6260	0.000	1	111.6260	0.000	1	110.0033	6.317	6	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:F-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6a]N[6]O[6])(F)(H)2	H(CC[6]FH)	H(CC[6]FH)	C(C[6]C[6a]N[6]O[6])(F)(H)2	H(CC[6]FH)	H(CC[6]FH)	108.1910	0.000	1	108.1910	0.000	1	110.0033	6.317	6	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]B[6]C[6]Mo)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]B[6]C[6]Mo)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4718	0.054	18	109.4718	0.003	18	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,5,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[3,5,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4630	0.049	2	109.4630	0.002	2	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,5,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[3,5,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.5008	0.339	18	109.5008	0.115	18	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,6,6]C[5,6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[3,6,6]C[5,6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4688	0.039	5	109.4688	0.001	5	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,6,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[3,6,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4633	0.024	4	109.4633	0.001	4	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,6,6]O[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[3,6,6]O[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4841	0.038	9	109.4841	0.001	9	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,6]2H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[3,6]2H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4555	0.039	2	109.4555	0.002	2	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,6]C[5,6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[3,6]C[5,6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4668	0.018	12	109.4668	0.000	12	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[3,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.2216	0.913	57	109.2216	0.833	57	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[3,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.2073	1.526	19	109.2073	2.330	19	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,6]C[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[3,6]C[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4704	0.038	14	109.4704	0.001	14	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,6]O[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[3,6]O[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4690	0.019	3	109.4690	0.000	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,6]O[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[3,6]O[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4157	5.093	3	109.4157	25.943	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[3]C[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[3]C[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4557	0.052	8	109.4557	0.003	8	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[3x6]C[5,6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[3x6]C[5,6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4845	0.025	13	109.4845	0.001	13	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[3x6]C[5,6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[3x6]C[5,6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4387	0.078	3	109.4387	0.006	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[3x6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[3x6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.1487	1.210	136	109.1487	1.464	136	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[3x6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[3x6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4565	0.012	6	109.4565	0.000	6	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[3x6]C[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[3x6]C[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.1386	0.885	7	109.1386	0.783	7	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[3x6]O[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[3x6]O[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4598	0.026	5	109.4598	0.001	5	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[4,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[4,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4670	0.026	10	109.4670	0.001	10	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[4,6]C[6]Cr)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[4,6]C[6]Cr)(H)3	H(CC[6]HH)	H(CC[6]HH)	107.3812	1.621	6	107.3812	2.627	6	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[4,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[4,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4702	0.041	6	109.4702	0.002	6	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[4,6]O[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[4,6]O[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4675	0.033	4	109.4675	0.001	4	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[4]C[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[4]C[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4743	0.048	9	109.4743	0.002	9	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[4x6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[4x6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4650	0.016	2	109.4650	0.000	2	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[4x6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[4x6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4554	0.038	10	109.4554	0.001	10	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,5,6,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,5,6,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4380	0.082	12	109.4380	0.007	12	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,5,6,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,5,6,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4666	0.036	11	109.4666	0.001	11	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,5,6]C[3,6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,5,6]C[3,6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4710	0.007	2	109.4710	0.000	2	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,5,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,5,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.3849	0.628	22	109.3849	0.394	22	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,5,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,5,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4651	0.017	7	109.4651	0.000	7	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,5,6]C[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,5,6]C[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	107.7363	2.906	3	107.7363	8.448	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,5,6]N[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,5,6]N[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4623	0.029	3	109.4623	0.001	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6,6]C[3,6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6,6]C[3,6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4480	0.061	3	109.4480	0.004	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6,6]C[6,6a]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6,6]C[6,6a]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.5093	0.040	3	109.5093	0.002	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4745	0.040	40	109.4745	0.002	40	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.3782	0.575	57	109.3782	0.330	57	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6,6]C[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6,6]C[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4692	0.069	21	109.4692	0.005	21	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6,6]O[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6,6]O[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.5040	0.045	3	109.5040	0.002	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]2C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]2C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.3597	1.823	94	109.3597	3.322	94	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]2H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]2H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.1181	0.798	30	109.1181	0.637	30	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]B[5]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]B[5]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4530	0.054	4	109.4530	0.003	4	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6,6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]C[6,6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4658	0.037	27	109.4658	0.001	27	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6,6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]C[6,6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.0279	2.128	37	109.0279	4.528	37	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6,6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]C[6,6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4975	0.034	11	109.4975	0.001	11	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]Br)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]C[6]Br)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4637	0.037	3	109.4637	0.001	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.3005	1.074	592	109.3005	1.152	592	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]Cl)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]C[6]Cl)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4702	0.036	5	109.4702	0.001	5	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]Fe)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]C[6]Fe)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.6006	1.273	11	109.6006	1.619	11	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.3230	0.893	472	109.3230	0.798	472	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]N)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]C[6]N)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.3207	1.348	14	109.3207	1.817	14	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]C[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4884	2.621	126	109.4884	6.869	126	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]P)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]C[6]P)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4723	0.050	3	109.4723	0.002	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]Zr)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]C[6]Zr)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4455	0.081	2	109.4455	0.007	2	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]N[5,6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]N[5,6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4660	0.036	20	109.4660	0.001	20	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]N[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]N[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4551	0.058	19	109.4551	0.003	19	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]N[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]N[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.2022	1.115	12	109.2022	1.244	12	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]O[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]O[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.3011	0.773	120	109.3011	0.597	120	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]O[6]Cl)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]O[6]Cl)(H)3	H(CC[6]HH)	H(CC[6]HH)	111.8547	3.076	3	111.8547	9.459	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]O[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]O[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4087	2.202	57	109.4087	4.847	57	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]O[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]O[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.8333	0.803	14	109.8333	0.645	14	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]S[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]S[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4513	0.025	4	109.4513	0.001	4	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]S[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]S[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4572	0.040	6	109.4572	0.002	6	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5]C[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5]C[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4660	0.061	22	109.4660	0.004	22	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5]C[6]O[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5]C[6]O[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4846	0.501	16	109.4846	0.251	16	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5]O[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5]O[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4710	0.035	4	109.4710	0.001	4	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]2C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5a,6]2C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4622	0.049	16	109.4622	0.002	16	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[3x6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5a,6]C[3x6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4800	0.062	22	109.4800	0.004	22	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[5,6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5a,6]C[5,6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4786	0.042	7	109.4786	0.002	7	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[5,6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5a,6]C[5,6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.5037	0.011	3	109.5037	0.000	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6,6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5a,6]C[6,6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4686	0.043	22	109.4686	0.002	22	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6,6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5a,6]C[6,6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4813	0.052	39	109.4813	0.003	39	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6,6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5a,6]C[6,6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4760	0.057	3	109.4760	0.003	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6,6a]C[6a])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5a,6]C[6,6a]C[6a])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4945	0.008	2	109.4945	0.000	2	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5a,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.3170	0.751	44	109.3170	0.564	44	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5a,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4553	0.033	10	109.4553	0.001	10	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6a]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5a,6]C[6a]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4607	0.040	3	109.4607	0.002	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6a]N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5a,6]C[6a]N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4741	0.012	8	109.4741	0.000	8	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]N[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5a,6]N[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.3616	0.946	30	109.3616	0.895	30	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]N[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5a,6]N[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4976	0.043	10	109.4976	0.002	10	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]O[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5a,6]O[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4648	0.045	11	109.4648	0.002	11	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a]C[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5a]C[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4743	0.054	7	109.4743	0.003	7	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a]C[6]N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5a]C[6]N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4790	0.035	6	109.4790	0.001	6	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a]O[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5a]O[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4847	0.042	4	109.4847	0.002	4	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5x3,5x5,21x6]C[4,6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5x3,5x5,21x6]C[4,6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4795	0.036	4	109.4795	0.001	4	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]2C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6]2C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4622	0.054	18	109.4622	0.003	18	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]2H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6]2H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4731	0.044	10	109.4731	0.002	10	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]2O)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6]2O)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4596	0.054	5	109.4596	0.003	5	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[5]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6]C[5]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4890	0.061	13	109.4890	0.004	13	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[5a]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6]C[5a]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4495	0.066	6	109.4495	0.004	6	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6]C[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4674	0.046	14	109.4674	0.002	14	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]Br)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6]C[6]Br)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4855	0.060	2	109.4855	0.004	2	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4032	1.046	3244	109.4032	1.094	3244	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]Cr)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6]C[6]Cr)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4753	0.059	6	109.4753	0.003	6	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4054	1.059	690	109.4054	1.121	690	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]I)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6]C[6]I)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4670	0.062	3	109.4670	0.004	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]Mo)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6]C[6]Mo)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4930	0.033	2	109.4930	0.001	2	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]N)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6]C[6]N)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.0344	1.509	19	109.0344	2.276	19	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6]C[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4271	1.800	136	109.4271	3.242	136	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]Ru)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6]C[6]Ru)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4676	0.074	25	109.4676	0.006	25	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]S)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6]C[6]S)(H)3	H(CC[6]HH)	H(CC[6]HH)	107.4503	1.362	3	107.4503	1.855	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]N[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6]N[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.1962	2.794	23	109.1962	7.805	23	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]N[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6]N[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	108.1711	3.971	12	108.1711	15.770	12	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]O[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6]O[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.3959	0.641	181	109.3959	0.410	181	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]O[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6]O[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4051	0.483	60	109.4051	0.233	60	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]S[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6]S[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4610	0.028	2	109.4610	0.001	2	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]2C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]2C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4208	0.847	1443	109.4208	0.718	1443	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]2C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]2C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.0207	2.773	6	109.0207	7.690	6	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]2C[6a])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]2C[6a])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4950	0.298	12	109.4950	0.089	12	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]2H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]2H)(H)3	H(CC[6]HH)	H(CC[6]HH)	106.9293	2.479	3	106.9293	6.144	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]2N)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]2N)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4700	0.046	3	109.4700	0.002	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]2O)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]2O)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.3288	3.495	27	109.3288	12.217	27	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]B[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]B[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4723	0.039	4	109.4723	0.001	4	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[3x6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]C[3x6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4395	0.015	2	109.4395	0.000	2	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[3x6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]C[3x6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4678	0.042	5	109.4678	0.002	5	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[5,6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]C[5,6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4849	2.648	68	109.4849	7.014	68	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[5,6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]C[5,6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.3342	0.457	19	109.3342	0.209	19	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[5,6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]C[5,6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.2803	0.933	23	109.2803	0.871	23	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[5]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]C[5]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4377	0.044	3	109.4377	0.002	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[5a]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]C[5a]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4675	0.026	2	109.4675	0.001	2	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6,6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]C[6,6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4387	1.446	103	109.4387	2.090	103	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6,6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]C[6,6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4800	0.048	17	109.4800	0.002	17	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6,6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]C[6,6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	108.3423	6.293	12	108.3423	39.604	12	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]C[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4904	0.089	10	109.4904	0.008	10	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.3000	1.066	679	109.3000	1.137	679	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.3582	1.078	120	109.3582	1.162	120	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]C[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4136	0.292	33	109.4136	0.085	33	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]S)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]C[6]S)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.5047	0.061	3	109.5047	0.004	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6a]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]C[6a]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4579	0.169	121	109.4579	0.029	121	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6a]O[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]C[6a]O[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4676	0.023	13	109.4676	0.001	13	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[5a,6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]N[5a,6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4740	0.033	5	109.4740	0.001	5	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6,6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]N[6,6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4593	0.014	3	109.4593	0.000	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]N[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.2832	3.176	18	109.2832	10.088	18	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]N[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4699	0.049	22	109.4699	0.002	22	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]N[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4550	0.035	2	109.4550	0.001	2	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]O[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]O[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.3990	2.087	25	109.3990	4.357	25	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]O[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]O[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4641	1.636	22	109.4641	2.676	22	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]Si[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6,6a]Si[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4820	0.046	5	109.4820	0.002	5	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Ba)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Ba)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4674	0.078	17	109.4674	0.006	17	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Br)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Br)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4671	0.053	9	109.4671	0.003	9	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.3410	1.380	6274	109.3410	1.904	6274	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Cl)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Cl)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4553	0.075	29	109.4553	0.006	29	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Co)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Co)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4696	0.054	39	109.4696	0.003	39	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Cr)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Cr)(H)3	H(CC[6]HH)	H(CC[6]HH)	108.7991	3.643	142	108.7991	13.268	142	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Cu)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Cu)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4947	0.055	8	109.4947	0.003	8	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Dy)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Dy)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4588	0.067	17	109.4588	0.004	17	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Er)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Er)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4824	0.070	8	109.4824	0.005	8	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2F)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2F)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.6249	0.958	9	109.6249	0.918	9	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Fe)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Fe)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4753	0.596	107	109.4753	0.355	107	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Gd)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Gd)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4750	0.084	6	109.4750	0.007	6	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.3025	1.490	3446	109.3025	2.220	3446	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Hf)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Hf)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4473	0.092	3	109.4473	0.008	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Ir)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Ir)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4306	0.269	16	109.4306	0.072	16	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2La)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2La)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4640	0.074	2	109.4640	0.005	2	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Li)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Li)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4789	0.071	20	109.4789	0.005	20	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Mg)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Mg)(H)3	H(CC[6]HH)	H(CC[6]HH)	107.8977	4.645	6	107.8977	21.580	6	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Mn)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Mn)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4820	0.044	2	109.4820	0.002	2	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Mo)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Mo)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4698	0.052	33	109.4698	0.003	33	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2N)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2N)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4289	0.361	89	109.4289	0.130	89	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.5070	0.396	14	109.5070	0.157	14	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Ni)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Ni)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4653	0.048	26	109.4653	0.002	26	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2O)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.3594	0.960	707	109.3594	0.922	707	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2O[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4763	0.046	3	109.4763	0.002	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Os)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Os)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4842	0.135	165	109.4842	0.018	165	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2P)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2P)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4709	0.031	14	109.4709	0.001	14	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2P[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2P[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.5170	0.049	2	109.5170	0.002	2	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Pd)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Pd)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.7959	4.930	10	109.7959	24.307	10	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Pt)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Pt)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4923	0.056	10	109.4923	0.003	10	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Rh)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Rh)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4350	0.165	31	109.4350	0.027	31	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Ru)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Ru)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4194	0.720	2746	109.4194	0.519	2746	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2S)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2S)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4642	0.035	11	109.4642	0.001	11	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Sc)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Sc)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4605	0.040	4	109.4605	0.002	4	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Ta)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Ta)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4759	0.052	11	109.4759	0.003	11	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Tb)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Tb)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4709	0.027	7	109.4709	0.001	7	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Tc)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Tc)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4655	0.072	28	109.4655	0.005	28	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Th)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Th)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4570	0.088	9	109.4570	0.008	9	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2V)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2V)(H)3	H(CC[6]HH)	H(CC[6]HH)	104.3162	10.588	8	104.3162	112.103	8	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2W)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2W)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4637	0.027	6	109.4637	0.001	6	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Yb)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Yb)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4569	0.079	16	109.4569	0.006	16	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Zr)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Zr)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4700	0.000	1	109.4700	0.000	1	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]3)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]3)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4688	0.036	25	109.4688	0.001	25	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]N[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.2160	2.078	2938	109.2160	4.320	2938	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]N[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.3765	1.203	844	109.3765	1.448	844	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]N[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4679	0.046	11	109.4679	0.002	11	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]O[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]N[6]O[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4830	0.011	2	109.4830	0.000	2	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]O[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.5050	0.049	2	109.5050	0.002	2	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]Br)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]O[6]Br)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4693	0.028	3	109.4693	0.001	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]O[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4195	0.987	1379	109.4195	0.974	1379	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]O[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4175	1.158	743	109.4175	1.340	743	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]N)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]O[6]N)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4827	0.051	3	109.4827	0.003	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]O[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4744	0.567	330	109.4744	0.321	330	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]P[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]P[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	108.9205	2.266	107	108.9205	5.133	107	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]P[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]P[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4942	0.053	6	109.4942	0.003	6	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]S[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]S[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4908	0.047	6	109.4908	0.002	6	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]S[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]S[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4617	0.056	59	109.4617	0.003	59	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]S[6]Cr)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]S[6]Cr)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.5043	0.055	3	109.5043	0.003	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]S[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]S[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4113	0.548	388	109.4113	0.300	388	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6a]C[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6a]C[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.2648	1.023	84	109.2648	1.047	84	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6a]C[6]N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6a]C[6]N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4194	0.812	44	109.4194	0.659	44	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6a]C[6]O[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6a]C[6]O[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4204	0.239	45	109.4204	0.057	45	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6a]C[6]S[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6a]C[6]S[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4600	0.054	2	109.4600	0.003	2	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6a]N[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6a]N[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4746	0.043	17	109.4746	0.002	17	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6a]N[6]O[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6a]N[6]O[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4676	0.026	5	109.4676	0.001	5	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6a]O[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6a]O[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4653	0.036	7	109.4653	0.001	7	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6a]S[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6a]S[6]2)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4730	0.040	3	109.4730	0.002	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[3,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[3,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4622	0.055	17	109.4622	0.003	17	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[3,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[3,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4305	0.025	4	109.4305	0.001	4	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[4,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[4,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4673	0.061	3	109.4673	0.004	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[4,6]S[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[4,6]S[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4608	0.026	5	109.4608	0.001	5	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[5,6,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[5,6,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.1876	1.173	17	109.1876	1.375	17	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[5,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[5,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.3286	0.756	45	109.3286	0.572	45	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[5,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[5,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.1872	0.970	29	109.1872	0.941	29	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[5,6]C[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[5,6]C[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4960	0.070	4	109.4960	0.005	4	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[5,6]C[6a]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[5,6]C[6a]C[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4597	0.028	6	109.4597	0.001	6	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[5,6]C[6a]N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[5,6]C[6a]N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4713	0.022	3	109.4713	0.000	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[5a,6]C[5,6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[5a,6]C[5,6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4713	0.030	7	109.4713	0.001	7	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[5a,6]C[6,6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[5a,6]C[6,6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4593	0.055	13	109.4593	0.003	13	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[5a,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[5a,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4732	0.048	31	109.4732	0.002	31	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[5a,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[5a,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4759	0.037	16	109.4759	0.001	16	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[5a,6]C[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[5a,6]C[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4243	1.205	15	109.4243	1.452	15	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[5a,6]C[6a]N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[5a,6]C[6a]N[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4830	0.064	3	109.4830	0.004	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[5a,6]N[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[5a,6]N[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4821	0.040	38	109.4821	0.002	38	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[5a]C[6]O[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[5a]C[6]O[6])(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4560	0.058	5	109.4560	0.003	5	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[6,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[6,6]C[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.2955	1.519	10	109.2955	2.307	10	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[6,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[6,6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4746	0.044	25	109.4746	0.002	25	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[6,6]C[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[6,6]C[6]O)(H)3	H(CC[6]HH)	H(CC[6]HH)	108.5366	2.706	9	108.5366	7.322	9	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[6,6a]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[6,6a]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.0520	1.703	35	109.0520	2.901	35	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]2C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[6]2C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.2509	1.065	106	109.2509	1.134	106	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]2H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[6]2H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4686	0.031	10	109.4686	0.001	10	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]O[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[6]O[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.3574	4.412	24	109.3574	19.468	24	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]O[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[6]O[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4719	0.044	11	109.4719	0.002	11	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]O[6]N)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[6]O[6]N)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4583	0.106	3	109.4583	0.011	3	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]P[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[6]P[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	108.9477	2.075	9	108.9477	4.304	9	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]S[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]N[6]S[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4605	0.041	13	109.4605	0.002	13	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]O[6]2C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]O[6]2C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4613	1.400	1534	109.4613	1.960	1534	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]O[6]2H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]O[6]2H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4500	1.491	98	109.4500	2.222	98	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]O[6]2O)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]O[6]2O)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4610	0.035	5	109.4610	0.001	5	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]S[6]2C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]S[6]2C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4760	0.021	6	109.4760	0.000	6	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]S[6]2H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]S[6]2H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4576	0.071	19	109.4576	0.005	19	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]Se[6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]Se[6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4872	0.095	6	109.4872	0.009	6	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]Si[6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]Si[6]C[6]H)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4762	0.019	5	109.4762	0.000	5	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]Si[6]N[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]Si[6]N[6]C)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4744	0.028	8	109.4744	0.001	8	109.3569	1.771	33228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[5,6,6]C[6]H)(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	C(C[6]C[5,6,6]C[6]H)(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	108.0600	0.000	1	108.0600	0.000	1	107.9300	0.611	40	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	C(C[6]C[5,6]C[6]H)(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	107.6134	0.294	8	107.6134	0.086	8	107.9300	0.611	40	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[5,6]O[6]H)(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	C(C[6]C[5,6]O[6]H)(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	108.1330	0.000	1	108.1330	0.000	1	107.9300	0.611	40	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	C(C[6]C[6,6]C[6]H)(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	107.6330	0.000	1	107.6330	0.000	1	107.9300	0.611	40	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	C(C[6]C[6,6a]C[6]C)(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	107.5520	0.072	2	107.5520	0.005	2	107.9300	0.611	40	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	C(C[6]C[6,6a]C[6]H)(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	107.7710	0.034	2	107.7710	0.001	2	107.9300	0.611	40	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[6]2C)(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	C(C[6]C[6]2C)(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	107.5510	0.000	1	107.5510	0.000	1	107.9300	0.611	40	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[6]2H)(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	C(C[6]C[6]2H)(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	108.6354	1.316	10	108.6354	1.733	10	107.9300	0.611	40	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	C(C[6]C[6]N[6]H)(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	107.8330	0.000	1	107.8330	0.000	1	107.9300	0.611	40	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[6]O[6]C)(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	C(C[6]C[6]O[6]C)(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	107.7100	0.000	1	107.7100	0.000	1	107.9300	0.611	40	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	C(C[6]C[6]O[6]H)(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	107.8520	0.129	6	107.8520	0.017	6	107.9300	0.611	40	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[6]O[6]O)(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	C(C[6]C[6]O[6]O)(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	107.3980	0.148	2	107.3980	0.022	2	107.9300	0.611	40	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[6a]C[6]N[6])(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	C(C[6]C[6a]C[6]N[6])(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	107.7075	0.022	2	107.7075	0.000	2	107.9300	0.611	40	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(C[6]C[6a]C[6]O[6])(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	C(C[6]C[6a]C[6]O[6])(H)2(I)	H(CC[6]HI)	H(CC[6]HI)	107.5255	0.107	2	107.5255	0.011	2	107.9300	0.611	40	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:O-1:	C-4:	C-4:	C(C[6]C[6]2H)(H)2(O)	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2H)(H)2(O)	H(CC[6]HO)	H(CC[6]HO)	109.5100	0.000	1	109.5100	0.000	1	108.1547	0.199	13	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:O-1:	C-4:	C-4:	C(C[6]C[6]2N)(H)2(O)	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2N)(H)2(O)	H(CC[6]HO)	H(CC[6]HO)	108.1540	0.000	1	108.1540	0.000	1	108.1547	0.199	13	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:O-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(H)2(O)	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]O[6]H)(H)2(O)	H(CC[6]HO)	H(CC[6]HO)	108.0315	0.197	11	108.0315	0.039	11	108.1547	0.199	13	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga-4:H-1:H-1:H-1:	C-4:	C-4:	C(GaB[5a]O[5]C)(H)3	H(CGaHH)	H(CGaHH)	C(GaB[5a]O[5]C)(H)3	H(CGaHH)	H(CGaHH)	109.4527	0.055	6	109.4527	0.003	6	109.4672	0.002	164	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga-4:H-1:H-1:H-1:	C-4:	C-4:	C(GaC3)(H)3	H(CGaHH)	H(CGaHH)	C(GaC3)(H)3	H(CGaHH)	H(CGaHH)	109.4686	0.035	7	109.4686	0.001	7	109.4672	0.002	164	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga-4:H-1:H-1:H-1:	C-4:	C-4:	C(GaCCO)(H)3	H(CGaHH)	H(CGaHH)	C(GaCCO)(H)3	H(CGaHH)	H(CGaHH)	109.4622	0.026	5	109.4622	0.001	5	109.4672	0.002	164	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga-4:H-1:H-1:H-1:	C-4:	C-4:	C(GaCOO)(H)3	H(CGaHH)	H(CGaHH)	C(GaCOO)(H)3	H(CGaHH)	H(CGaHH)	109.4678	0.066	9	109.4678	0.004	9	109.4672	0.002	164	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga-4:H-1:H-1:H-1:	C-4:	C-4:	C(GaCSS)(H)3	H(CGaHH)	H(CGaHH)	C(GaCSS)(H)3	H(CGaHH)	H(CGaHH)	109.4640	0.045	18	109.4640	0.002	18	109.4672	0.002	164	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga-4:H-1:H-1:H-1:	C-4:	C-4:	C(GaC[5]CC)(H)3	H(CGaHH)	H(CGaHH)	C(GaC[5]CC)(H)3	H(CGaHH)	H(CGaHH)	109.4700	0.052	41	109.4700	0.003	41	109.4672	0.002	164	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga-4:H-1:H-1:H-1:	C-4:	C-4:	C(GaC[5]CO)(H)3	H(CGaHH)	H(CGaHH)	C(GaC[5]CO)(H)3	H(CGaHH)	H(CGaHH)	109.4770	0.037	24	109.4770	0.001	24	109.4672	0.002	164	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga-4:H-1:H-1:H-1:	C-4:	C-4:	C(GaC[6]CO)(H)3	H(CGaHH)	H(CGaHH)	C(GaC[6]CO)(H)3	H(CGaHH)	H(CGaHH)	109.4745	0.015	2	109.4745	0.000	2	109.4672	0.002	164	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga-4:H-1:H-1:H-1:	C-4:	C-4:	C(GaC[6a]2N)(H)3	H(CGaHH)	H(CGaHH)	C(GaC[6a]2N)(H)3	H(CGaHH)	H(CGaHH)	109.5000	0.030	3	109.5000	0.001	3	109.4672	0.002	164	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga-4:H-1:H-1:H-1:	C-4:	C-4:	C(GaCl2C)(H)3	H(CGaHH)	H(CGaHH)	C(GaCl2C)(H)3	H(CGaHH)	H(CGaHH)	109.4706	0.036	10	109.4706	0.001	10	109.4672	0.002	164	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga-4:H-1:H-1:H-1:	C-4:	C-4:	C(GaCl2N)(H)3	H(CGaHH)	H(CGaHH)	C(GaCl2N)(H)3	H(CGaHH)	H(CGaHH)	109.4313	0.039	3	109.4313	0.002	3	109.4672	0.002	164	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga-4:H-1:H-1:H-1:	C-4:	C-4:	C(GaClCN)(H)3	H(CGaHH)	H(CGaHH)	C(GaClCN)(H)3	H(CGaHH)	H(CGaHH)	109.4805	0.015	2	109.4805	0.000	2	109.4672	0.002	164	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga-4:H-1:H-1:H-1:	C-4:	C-4:	C(GaClCO)(H)3	H(CGaHH)	H(CGaHH)	C(GaClCO)(H)3	H(CGaHH)	H(CGaHH)	109.4665	0.043	2	109.4665	0.002	2	109.4672	0.002	164	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga-4:H-1:H-1:H-1:	C-4:	C-4:	C(GaN[5]2C)(H)3	H(CGaHH)	H(CGaHH)	C(GaN[5]2C)(H)3	H(CGaHH)	H(CGaHH)	109.4434	0.047	11	109.4434	0.002	11	109.4672	0.002	164	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga-4:H-1:H-1:H-1:	C-4:	C-4:	C(GaN[6]CO)(H)3	H(CGaHH)	H(CGaHH)	C(GaN[6]CO)(H)3	H(CGaHH)	H(CGaHH)	109.4846	0.022	5	109.4846	0.000	5	109.4672	0.002	164	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga-4:H-1:H-1:H-1:	C-4:	C-4:	C(GaO[5]BC)(H)3	H(CGaHH)	H(CGaHH)	C(GaO[5]BC)(H)3	H(CGaHH)	H(CGaHH)	109.4642	0.049	4	109.4642	0.002	4	109.4672	0.002	164	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga-4:H-1:H-1:H-1:	C-4:	C-4:	C(GaO[5]ClN)(H)3	H(CGaHH)	H(CGaHH)	C(GaO[5]ClN)(H)3	H(CGaHH)	H(CGaHH)	109.4583	0.094	3	109.4583	0.009	3	109.4672	0.002	164	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga-4:H-1:H-1:H-1:	C-4:	C-4:	C(GaS3)(H)3	H(CGaHH)	H(CGaHH)	C(GaS3)(H)3	H(CGaHH)	H(CGaHH)	109.4614	0.043	5	109.4614	0.002	5	109.4672	0.002	164	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga-4:H-1:H-1:H-1:	C-4:	C-4:	C(GaSe2C)(H)3	H(CGaHH)	H(CGaHH)	C(GaSe2C)(H)3	H(CGaHH)	H(CGaHH)	109.4638	0.025	4	109.4638	0.001	4	109.4672	0.002	164	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[4,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[4,5]S[4,5]2S[5])(H)3	H(CGa[4,5]HH)	H(CGa[4,5]HH)	C(Ga[4,5]S[4,5]2S[5])(H)3	H(CGa[4,5]HH)	H(CGa[4,5]HH)	109.4837	0.015	3	109.4837	0.000	3	109.4837	0.000	3	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[4,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[4,6,6]N[4,6,6]2N[4,6])(H)3	H(CGa[4,6,6]HH)	H(CGa[4,6,6]HH)	C(Ga[4,6,6]N[4,6,6]2N[4,6])(H)3	H(CGa[4,6,6]HH)	H(CGa[4,6,6]HH)	109.4585	0.006	2	109.4585	0.000	2	109.4585	0.000	2	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[4,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[4,6]N[4,6,6]N[4,6]N[6])(H)3	H(CGa[4,6]HH)	H(CGa[4,6]HH)	C(Ga[4,6]N[4,6,6]N[4,6]N[6])(H)3	H(CGa[4,6]HH)	H(CGa[4,6]HH)	109.4657	0.036	3	109.4657	0.001	3	109.4657	0.001	3	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[4]N[4]2C)(H)3	H(CGa[4]HH)	H(CGa[4]HH)	C(Ga[4]N[4]2C)(H)3	H(CGa[4]HH)	H(CGa[4]HH)	109.4774	0.047	19	109.4774	0.002	19	109.2972	4.659	53	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[4]N[4]2N)(H)3	H(CGa[4]HH)	H(CGa[4]HH)	C(Ga[4]N[4]2N)(H)3	H(CGa[4]HH)	H(CGa[4]HH)	109.5023	0.028	3	109.5023	0.001	3	109.2972	4.659	53	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[4]N[4]3)(H)3	H(CGa[4]HH)	H(CGa[4]HH)	C(Ga[4]N[4]3)(H)3	H(CGa[4]HH)	H(CGa[4]HH)	109.4563	0.077	7	109.4563	0.006	7	109.2972	4.659	53	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[4]O[4]2C)(H)3	H(CGa[4]HH)	H(CGa[4]HH)	C(Ga[4]O[4]2C)(H)3	H(CGa[4]HH)	H(CGa[4]HH)	109.0825	3.231	24	109.0825	10.442	24	109.2972	4.659	53	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[5,5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[5,5,6,6]N[5,5,6,6]N[5,5,6]O[5,6,6])(H)3	H(CGa[5,5,6,6]HH)	H(CGa[5,5,6,6]HH)	C(Ga[5,5,6,6]N[5,5,6,6]N[5,5,6]O[5,6,6])(H)3	H(CGa[5,5,6,6]HH)	H(CGa[5,5,6,6]HH)	109.4220	0.024	2	109.4220	0.001	2	109.4377	0.001	3	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[5,5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[5,5,6,6]N[5,5,6,6]N[5,5,6]O[5,6])(H)3	H(CGa[5,5,6,6]HH)	H(CGa[5,5,6,6]HH)	C(Ga[5,5,6,6]N[5,5,6,6]N[5,5,6]O[5,6])(H)3	H(CGa[5,5,6,6]HH)	H(CGa[5,5,6,6]HH)	109.4690	0.000	1	109.4690	0.000	1	109.4377	0.001	3	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[5,5,6]N[5,5,6]N[5,5]O[5,6])(H)3	H(CGa[5,5,6]HH)	H(CGa[5,5,6]HH)	C(Ga[5,5,6]N[5,5,6]N[5,5]O[5,6])(H)3	H(CGa[5,5,6]HH)	H(CGa[5,5,6]HH)	109.4363	0.038	3	109.4363	0.001	3	109.4457	0.007	6	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[5,5,6]N[5,5,6]O[5,6,6]N[5,5])(H)3	H(CGa[5,5,6]HH)	H(CGa[5,5,6]HH)	C(Ga[5,5,6]N[5,5,6]O[5,6,6]N[5,5])(H)3	H(CGa[5,5,6]HH)	H(CGa[5,5,6]HH)	109.4550	0.122	3	109.4550	0.015	3	109.4457	0.007	6	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[5,5]O[5,5]N[5]2)(H)3	H(CGa[5,5]HH)	H(CGa[5,5]HH)	C(Ga[5,5]O[5,5]N[5]2)(H)3	H(CGa[5,5]HH)	H(CGa[5,5]HH)	109.5100	0.034	3	109.5100	0.001	3	109.4928	0.001	6	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[5,5]P[5,5]S[5]2)(H)3	H(CGa[5,5]HH)	H(CGa[5,5]HH)	C(Ga[5,5]P[5,5]S[5]2)(H)3	H(CGa[5,5]HH)	H(CGa[5,5]HH)	109.4757	0.016	3	109.4757	0.000	3	109.4928	0.001	6	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[5,6,6]N[5,5,6,6]O[5,6,6]O[5,6])(H)3	H(CGa[5,6,6]HH)	H(CGa[5,6,6]HH)	C(Ga[5,6,6]N[5,5,6,6]O[5,6,6]O[5,6])(H)3	H(CGa[5,6,6]HH)	H(CGa[5,6,6]HH)	109.5020	0.054	2	109.5020	0.003	2	109.5020	0.003	2	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[5,6]N[5,5,6]C[5,6]C)(H)3	H(CGa[5,6]HH)	H(CGa[5,6]HH)	C(Ga[5,6]N[5,5,6]C[5,6]C)(H)3	H(CGa[5,6]HH)	H(CGa[5,6]HH)	110.0675	3.705	6	110.0675	13.726	6	109.9158	9.884	8	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[5,6]O[5,6,6]O[5,6]N[5])(H)3	H(CGa[5,6]HH)	H(CGa[5,6]HH)	C(Ga[5,6]O[5,6,6]O[5,6]N[5])(H)3	H(CGa[5,6]HH)	H(CGa[5,6]HH)	109.4605	0.080	2	109.4605	0.006	2	109.9158	9.884	8	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[5]N[5]2C)(H)3	H(CGa[5]HH)	H(CGa[5]HH)	C(Ga[5]N[5]2C)(H)3	H(CGa[5]HH)	H(CGa[5]HH)	109.4619	0.043	14	109.4619	0.002	14	109.4596	0.004	30	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[5]N[5]2N)(H)3	H(CGa[5]HH)	H(CGa[5]HH)	C(Ga[5]N[5]2N)(H)3	H(CGa[5]HH)	H(CGa[5]HH)	109.4235	0.057	2	109.4235	0.003	2	109.4596	0.004	30	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[5]N[5]2O)(H)3	H(CGa[5]HH)	H(CGa[5]HH)	C(Ga[5]N[5]2O)(H)3	H(CGa[5]HH)	H(CGa[5]HH)	109.4884	0.047	5	109.4884	0.002	5	109.4596	0.004	30	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[5]N[5]O[5]C)(H)3	H(CGa[5]HH)	H(CGa[5]HH)	C(Ga[5]N[5]O[5]C)(H)3	H(CGa[5]HH)	H(CGa[5]HH)	109.4340	0.089	2	109.4340	0.008	2	109.4596	0.004	30	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[5]N[5]O[5]Cl)(H)3	H(CGa[5]HH)	H(CGa[5]HH)	C(Ga[5]N[5]O[5]Cl)(H)3	H(CGa[5]HH)	H(CGa[5]HH)	109.3560	0.030	2	109.3560	0.001	2	109.4596	0.004	30	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[5]O[5]2C)(H)3	H(CGa[5]HH)	H(CGa[5]HH)	C(Ga[5]O[5]2C)(H)3	H(CGa[5]HH)	H(CGa[5]HH)	109.4904	0.089	5	109.4904	0.008	5	109.4596	0.004	30	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[6,6]N[3x6]N[6]2)(H)3	H(CGa[6,6]HH)	H(CGa[6,6]HH)	C(Ga[6,6]N[3x6]N[6]2)(H)3	H(CGa[6,6]HH)	H(CGa[6,6]HH)	109.4573	0.048	3	109.4573	0.002	3	109.4591	0.002	16	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[6,6]N[3x6]O[6,6]C)(H)3	H(CGa[6,6]HH)	H(CGa[6,6]HH)	C(Ga[6,6]N[3x6]O[6,6]C)(H)3	H(CGa[6,6]HH)	H(CGa[6,6]HH)	109.4619	0.042	11	109.4619	0.002	11	109.4591	0.002	16	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[6,6]N[6,6]O[6,6]N[6])(H)3	H(CGa[6,6]HH)	H(CGa[6,6]HH)	C(Ga[6,6]N[6,6]O[6,6]N[6])(H)3	H(CGa[6,6]HH)	H(CGa[6,6]HH)	109.4460	0.076	2	109.4460	0.006	2	109.4591	0.002	16	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[6]C[5,6]O[6]C)(H)3	H(CGa[6]HH)	H(CGa[6]HH)	C(Ga[6]C[5,6]O[6]C)(H)3	H(CGa[6]HH)	H(CGa[6]HH)	109.4788	0.039	10	109.4788	0.001	10	109.4684	0.004	98	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[6]N[5,6]2C)(H)3	H(CGa[6]HH)	H(CGa[6]HH)	C(Ga[6]N[5,6]2C)(H)3	H(CGa[6]HH)	H(CGa[6]HH)	109.4532	0.062	33	109.4532	0.004	33	109.4684	0.004	98	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[6]N[5,6]O[6]C)(H)3	H(CGa[6]HH)	H(CGa[6]HH)	C(Ga[6]N[5,6]O[6]C)(H)3	H(CGa[6]HH)	H(CGa[6]HH)	109.4588	0.055	5	109.4588	0.003	5	109.4684	0.004	98	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[6]N[6,6]N[6]C)(H)3	H(CGa[6]HH)	H(CGa[6]HH)	C(Ga[6]N[6,6]N[6]C)(H)3	H(CGa[6]HH)	H(CGa[6]HH)	109.4579	0.054	7	109.4579	0.003	7	109.4684	0.004	98	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[6]N[6]2C)(H)3	H(CGa[6]HH)	H(CGa[6]HH)	C(Ga[6]N[6]2C)(H)3	H(CGa[6]HH)	H(CGa[6]HH)	109.4515	0.062	10	109.4515	0.004	10	109.4684	0.004	98	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[6]N[6]2Zn)(H)3	H(CGa[6]HH)	H(CGa[6]HH)	C(Ga[6]N[6]2Zn)(H)3	H(CGa[6]HH)	H(CGa[6]HH)	109.4603	0.074	4	109.4603	0.005	4	109.4684	0.004	98	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[6]N[6]O[6]C)(H)3	H(CGa[6]HH)	H(CGa[6]HH)	C(Ga[6]N[6]O[6]C)(H)3	H(CGa[6]HH)	H(CGa[6]HH)	109.4885	0.081	24	109.4885	0.006	24	109.4684	0.004	98	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[6]O[6,6]N[6]C)(H)3	H(CGa[6]HH)	H(CGa[6]HH)	C(Ga[6]O[6,6]N[6]C)(H)3	H(CGa[6]HH)	H(CGa[6]HH)	109.4735	0.053	2	109.4735	0.003	2	109.4684	0.004	98	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ga[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[6]S[6]2Cl)(H)3	H(CGa[6]HH)	H(CGa[6]HH)	C(Ga[6]S[6]2Cl)(H)3	H(CGa[6]HH)	H(CGa[6]HH)	109.5423	0.066	3	109.5423	0.004	3	109.4684	0.004	98	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge-4:H-1:H-1:H-1:	C-4:	C-4:	C(GeC3)(H)3	H(CGeHH)	H(CGeHH)	C(GeC3)(H)3	H(CGeHH)	H(CGeHH)	109.4521	0.060	21	109.4521	0.004	21	109.4160	1.634	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge-4:H-1:H-1:H-1:	C-4:	C-4:	C(GeC[3,3,5,5x6]ClC)(H)3	H(CGeHH)	H(CGeHH)	C(GeC[3,3,5,5x6]ClC)(H)3	H(CGeHH)	H(CGeHH)	109.5000	0.023	4	109.5000	0.001	4	109.4160	1.634	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge-4:H-1:H-1:H-1:	C-4:	C-4:	C(GeC[5]2C)(H)3	H(CGeHH)	H(CGeHH)	C(GeC[5]2C)(H)3	H(CGeHH)	H(CGeHH)	109.4711	0.052	16	109.4711	0.003	16	109.4160	1.634	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge-4:H-1:H-1:H-1:	C-4:	C-4:	C(GeC[5]II)(H)3	H(CGeHH)	H(CGeHH)	C(GeC[5]II)(H)3	H(CGeHH)	H(CGeHH)	109.4975	0.063	2	109.4975	0.004	2	109.4160	1.634	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge-4:H-1:H-1:H-1:	C-4:	C-4:	C(GeC[5]MoC)(H)3	H(CGeHH)	H(CGeHH)	C(GeC[5]MoC)(H)3	H(CGeHH)	H(CGeHH)	109.4770	0.038	11	109.4770	0.001	11	109.4160	1.634	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge-4:H-1:H-1:H-1:	C-4:	C-4:	C(GeC[5]OO)(H)3	H(CGeHH)	H(CGeHH)	C(GeC[5]OO)(H)3	H(CGeHH)	H(CGeHH)	109.5050	0.025	2	109.5050	0.001	2	109.4160	1.634	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge-4:H-1:H-1:H-1:	C-4:	C-4:	C(GeC[5a]2C)(H)3	H(CGeHH)	H(CGeHH)	C(GeC[5a]2C)(H)3	H(CGeHH)	H(CGeHH)	109.4625	0.053	6	109.4625	0.003	6	109.4160	1.634	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge-4:H-1:H-1:H-1:	C-4:	C-4:	C(GeC[5a]GeC)(H)3	H(CGeHH)	H(CGeHH)	C(GeC[5a]GeC)(H)3	H(CGeHH)	H(CGeHH)	109.4775	0.021	11	109.4775	0.000	11	109.4160	1.634	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge-4:H-1:H-1:H-1:	C-4:	C-4:	C(GeC[6a]2C[5])(H)3	H(CGeHH)	H(CGeHH)	C(GeC[6a]2C[5])(H)3	H(CGeHH)	H(CGeHH)	109.4783	0.046	6	109.4783	0.002	6	109.4160	1.634	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge-4:H-1:H-1:H-1:	C-4:	C-4:	C(GeC[6a]2Ir)(H)3	H(CGeHH)	H(CGeHH)	C(GeC[6a]2Ir)(H)3	H(CGeHH)	H(CGeHH)	109.5270	0.038	2	109.5270	0.001	2	109.4160	1.634	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge-4:H-1:H-1:H-1:	C-4:	C-4:	C(GeC[6a]3)(H)3	H(CGeHH)	H(CGeHH)	C(GeC[6a]3)(H)3	H(CGeHH)	H(CGeHH)	109.4585	0.041	4	109.4585	0.002	4	109.4160	1.634	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge-4:H-1:H-1:H-1:	C-4:	C-4:	C(GeC[6a]CC)(H)3	H(CGeHH)	H(CGeHH)	C(GeC[6a]CC)(H)3	H(CGeHH)	H(CGeHH)	109.4736	0.061	14	109.4736	0.004	14	109.4160	1.634	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge-4:H-1:H-1:H-1:	C-4:	C-4:	C(GeC[6a]GeC)(H)3	H(CGeHH)	H(CGeHH)	C(GeC[6a]GeC)(H)3	H(CGeHH)	H(CGeHH)	109.4960	0.048	6	109.4960	0.002	6	109.4160	1.634	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge-4:H-1:H-1:H-1:	C-4:	C-4:	C(GeClCW)(H)3	H(CGeHH)	H(CGeHH)	C(GeClCW)(H)3	H(CGeHH)	H(CGeHH)	107.6297	6.800	6	107.6297	46.246	6	109.4160	1.634	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge-4:H-1:H-1:H-1:	C-4:	C-4:	C(GeGe2C)(H)3	H(CGeHH)	H(CGeHH)	C(GeGe2C)(H)3	H(CGeHH)	H(CGeHH)	109.4434	0.051	7	109.4434	0.003	7	109.4160	1.634	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge-4:H-1:H-1:H-1:	C-4:	C-4:	C(GeGeCC)(H)3	H(CGeHH)	H(CGeHH)	C(GeGeCC)(H)3	H(CGeHH)	H(CGeHH)	109.4596	1.186	86	109.4596	1.407	86	109.4160	1.634	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge-4:H-1:H-1:H-1:	C-4:	C-4:	C(GeSiCC)(H)3	H(CGeHH)	H(CGeHH)	C(GeSiCC)(H)3	H(CGeHH)	H(CGeHH)	109.4399	0.073	18	109.4399	0.005	18	109.4160	1.634	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge-4:H-1:H-1:H-1:	C-4:	C-4:	C(GeSi[6]CC)(H)3	H(CGeHH)	H(CGeHH)	C(GeSi[6]CC)(H)3	H(CGeHH)	H(CGeHH)	109.4745	0.046	6	109.4745	0.002	6	109.4160	1.634	228	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ge[4]S[4]2C)(H)3	H(CGe[4]HH)	H(CGe[4]HH)	C(Ge[4]S[4]2C)(H)3	H(CGe[4]HH)	H(CGe[4]HH)	109.4514	0.097	7	109.4514	0.009	7	109.4514	0.009	7	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ge[5,5]C[3x3,4,5x5,14x6]Ge[5,5]C)(H)3	H(CGe[5,5]HH)	H(CGe[5,5]HH)	C(Ge[5,5]C[3x3,4,5x5,14x6]Ge[5,5]C)(H)3	H(CGe[5,5]HH)	H(CGe[5,5]HH)	109.4726	0.055	5	109.4726	0.003	5	109.4664	0.002	10	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ge[5,5]C[5,5,6]2C)(H)3	H(CGe[5,5]HH)	H(CGe[5,5]HH)	C(Ge[5,5]C[5,5,6]2C)(H)3	H(CGe[5,5]HH)	H(CGe[5,5]HH)	109.4602	0.037	5	109.4602	0.001	5	109.4664	0.002	10	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ge[5]C[5,6a]2C)(H)3	H(CGe[5]HH)	H(CGe[5]HH)	C(Ge[5]C[5,6a]2C)(H)3	H(CGe[5]HH)	H(CGe[5]HH)	109.4762	0.079	18	109.4762	0.006	18	109.4798	0.009	46	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ge[5]C[5x3,6x5,20x6]C[5]C)(H)3	H(CGe[5]HH)	H(CGe[5]HH)	C(Ge[5]C[5x3,6x5,20x6]C[5]C)(H)3	H(CGe[5]HH)	H(CGe[5]HH)	109.4606	0.076	8	109.4606	0.006	8	109.4798	0.009	46	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ge[5]Ge[5]2C)(H)3	H(CGe[5]HH)	H(CGe[5]HH)	C(Ge[5]Ge[5]2C)(H)3	H(CGe[5]HH)	H(CGe[5]HH)	109.4300	0.114	5	109.4300	0.013	5	109.4798	0.009	46	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ge[5]Ge[5]C[5]C)(H)3	H(CGe[5]HH)	H(CGe[5]HH)	C(Ge[5]Ge[5]C[5]C)(H)3	H(CGe[5]HH)	H(CGe[5]HH)	109.5614	0.127	8	109.5614	0.016	8	109.4798	0.009	46	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ge[5]N[5,6]2C)(H)3	H(CGe[5]HH)	H(CGe[5]HH)	C(Ge[5]N[5,6]2C)(H)3	H(CGe[5]HH)	H(CGe[5]HH)	109.4700	0.038	4	109.4700	0.001	4	109.4798	0.009	46	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ge[5]N[5]2O)(H)3	H(CGe[5]HH)	H(CGe[5]HH)	C(Ge[5]N[5]2O)(H)3	H(CGe[5]HH)	H(CGe[5]HH)	109.4307	0.017	3	109.4307	0.000	3	109.4798	0.009	46	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ge[6]C[5x3,5x5,21x6]2C)(H)3	H(CGe[6]HH)	H(CGe[6]HH)	C(Ge[6]C[5x3,5x5,21x6]2C)(H)3	H(CGe[6]HH)	H(CGe[6]HH)	109.4855	0.043	4	109.4855	0.002	4	109.4790	0.003	22	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ge[6]N[6]2Cu)(H)3	H(CGe[6]HH)	H(CGe[6]HH)	C(Ge[6]N[6]2Cu)(H)3	H(CGe[6]HH)	H(CGe[6]HH)	109.4606	0.066	8	109.4606	0.004	8	109.4790	0.003	22	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ge[6]N[6]2S)(H)3	H(CGe[6]HH)	H(CGe[6]HH)	C(Ge[6]N[6]2S)(H)3	H(CGe[6]HH)	H(CGe[6]HH)	109.5050	0.022	4	109.5050	0.000	4	109.4790	0.003	22	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Ge[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Ge[6]O[6]2C)(H)3	H(CGe[6]HH)	H(CGe[6]HH)	C(Ge[6]O[6]2C)(H)3	H(CGe[6]HH)	H(CGe[6]HH)	109.4818	0.057	6	109.4818	0.003	6	109.4790	0.003	22	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	In-4:H-1:H-1:H-1:	C-4:	C-4:	C(InCCN)(H)3	H(CInHH)	H(CInHH)	C(InCCN)(H)3	H(CInHH)	H(CInHH)	104.3012	11.142	6	104.3012	124.153	6	109.0324	10.967	71	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	In-4:H-1:H-1:H-1:	C-4:	C-4:	C(InCCO)(H)3	H(CInHH)	H(CInHH)	C(InCCO)(H)3	H(CInHH)	H(CInHH)	109.4742	0.067	11	109.4742	0.005	11	109.0324	10.967	71	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	In-4:H-1:H-1:H-1:	C-4:	C-4:	C(InC[5]CC)(H)3	H(CInHH)	H(CInHH)	C(InC[5]CC)(H)3	H(CInHH)	H(CInHH)	109.4786	0.067	28	109.4786	0.004	28	109.0324	10.967	71	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	In-4:H-1:H-1:H-1:	C-4:	C-4:	C(InC[5]CO)(H)3	H(CInHH)	H(CInHH)	C(InC[5]CO)(H)3	H(CInHH)	H(CInHH)	109.4608	0.080	5	109.4608	0.006	5	109.0324	10.967	71	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	In-4:H-1:H-1:H-1:	C-4:	C-4:	C(InC[5]ClC)(H)3	H(CInHH)	H(CInHH)	C(InC[5]ClC)(H)3	H(CInHH)	H(CInHH)	109.4605	0.047	2	109.4605	0.002	2	109.0324	10.967	71	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	In-4:H-1:H-1:H-1:	C-4:	C-4:	C(InC[6]CO)(H)3	H(CInHH)	H(CInHH)	C(InC[6]CO)(H)3	H(CInHH)	H(CInHH)	109.4240	0.022	3	109.4240	0.000	3	109.0324	10.967	71	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	In-4:H-1:H-1:H-1:	C-4:	C-4:	C(InN[6]CO)(H)3	H(CInHH)	H(CInHH)	C(InN[6]CO)(H)3	H(CInHH)	H(CInHH)	109.4450	0.069	5	109.4450	0.005	5	109.0324	10.967	71	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	In-4:H-1:H-1:H-1:	C-4:	C-4:	C(InO[5]OO)(H)3	H(CInHH)	H(CInHH)	C(InO[5]OO)(H)3	H(CInHH)	H(CInHH)	109.4563	0.019	6	109.4563	0.000	6	109.0324	10.967	71	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	In-4:H-1:H-1:H-1:	C-4:	C-4:	C(InO[6]ClC)(H)3	H(CInHH)	H(CInHH)	C(InO[6]ClC)(H)3	H(CInHH)	H(CInHH)	109.4413	0.054	3	109.4413	0.003	3	109.0324	10.967	71	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	In-4:H-1:H-1:H-1:	C-4:	C-4:	C(InS3)(H)3	H(CInHH)	H(CInHH)	C(InS3)(H)3	H(CInHH)	H(CInHH)	109.5470	0.025	2	109.5470	0.001	2	109.0324	10.967	71	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	In[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(In[4]N[4]2C)(H)3	H(CIn[4]HH)	H(CIn[4]HH)	C(In[4]N[4]2C)(H)3	H(CIn[4]HH)	H(CIn[4]HH)	109.4872	0.038	6	109.4872	0.001	6	109.4591	0.004	34	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	In[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(In[4]O[4]2C)(H)3	H(CIn[4]HH)	H(CIn[4]HH)	C(In[4]O[4]2C)(H)3	H(CIn[4]HH)	H(CIn[4]HH)	109.4531	0.063	28	109.4531	0.004	28	109.4591	0.004	34	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	In[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(In[6]C[6]2N[6])(H)3	H(CIn[6]HH)	H(CIn[6]HH)	C(In[6]C[6]2N[6])(H)3	H(CIn[6]HH)	H(CIn[6]HH)	109.4510	0.000	1	109.4510	0.000	1	109.4689	0.002	33	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	In[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(In[6]N[6]O[6]C)(H)3	H(CIn[6]HH)	H(CIn[6]HH)	C(In[6]N[6]O[6]C)(H)3	H(CIn[6]HH)	H(CIn[6]HH)	109.4703	0.050	29	109.4703	0.003	29	109.4689	0.002	33	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	In[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(In[6]O[6]2C)(H)3	H(CIn[6]HH)	H(CIn[6]HH)	C(In[6]O[6]2C)(H)3	H(CIn[6]HH)	H(CIn[6]HH)	109.4610	0.011	3	109.4610	0.000	3	109.4689	0.002	33	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:Br-1:H-1:H-1:	C-4:	C-4:	C(NC3)(Br)(H)2	H(CBrHN)	H(CBrHN)	C(NC3)(Br)(H)2	H(CBrHN)	H(CBrHN)	110.4343	4.038	6	110.4343	16.301	6	110.4343	16.301	6	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(NC3)(Cl)(H)2	H(CClHN)	H(CClHN)	C(NC3)(Cl)(H)2	H(CClHN)	H(CClHN)	107.8921	0.489	17	107.8921	0.239	17	108.5570	2.218	24	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(NCCN)(Cl)(H)2	H(CClHN)	H(CClHN)	C(NCCN)(Cl)(H)2	H(CClHN)	H(CClHN)	110.5548	1.746	6	110.5548	3.049	6	108.5570	2.218	24	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]CC)(Cl)(H)2	H(CClHN)	H(CClHN)	C(NC[6a]CC)(Cl)(H)2	H(CClHN)	H(CClHN)	107.8730	0.000	1	107.8730	0.000	1	108.5570	2.218	24	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NAl2C)(H)3	H(CHHN)	H(CHHN)	C(NAl2C)(H)3	H(CHHN)	H(CHHN)	109.4868	0.046	8	109.4868	0.002	8	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NAlCC)(H)3	H(CHHN)	H(CHHN)	C(NAlCC)(H)3	H(CHHN)	H(CHHN)	109.4359	0.927	323	109.4359	0.860	323	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NAlCH)(H)3	H(CHHN)	H(CHHN)	C(NAlCH)(H)3	H(CHHN)	H(CHHN)	109.4755	0.082	27	109.4755	0.007	27	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NAlLiC)(H)3	H(CHHN)	H(CHHN)	C(NAlLiC)(H)3	H(CHHN)	H(CHHN)	109.4475	0.037	2	109.4475	0.001	2	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NAlSiC)(H)3	H(CHHN)	H(CHHN)	C(NAlSiC)(H)3	H(CHHN)	H(CHHN)	109.4670	0.045	17	109.4670	0.002	17	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NBBC)(H)3	H(CHHN)	H(CHHN)	C(NBBC)(H)3	H(CHHN)	H(CHHN)	109.7097	1.057	45	109.7097	1.117	45	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NBBH)(H)3	H(CHHN)	H(CHHN)	C(NBBH)(H)3	H(CHHN)	H(CHHN)	109.4570	1.297	16	109.4570	1.683	16	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NBCC)(H)3	H(CHHN)	H(CHHN)	C(NBCC)(H)3	H(CHHN)	H(CHHN)	109.6142	1.167	183	109.6142	1.363	183	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NBCH)(H)3	H(CHHN)	H(CHHN)	C(NBCH)(H)3	H(CHHN)	H(CHHN)	109.6744	0.534	50	109.6744	0.285	50	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NBCO)(H)3	H(CHHN)	H(CHHN)	C(NBCO)(H)3	H(CHHN)	H(CHHN)	110.9764	3.922	12	110.9764	15.383	12	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NBHH)(H)3	H(CHHN)	H(CHHN)	C(NBHH)(H)3	H(CHHN)	H(CHHN)	109.6232	2.788	41	109.6232	7.771	41	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NB[3x3,3x5,12x6]CC)(H)3	H(CHHN)	H(CHHN)	C(NB[3x3,3x5,12x6]CC)(H)3	H(CHHN)	H(CHHN)	109.4574	0.048	25	109.4574	0.002	25	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NB[5a]CH)(H)3	H(CHHN)	H(CHHN)	C(NB[5a]CH)(H)3	H(CHHN)	H(CHHN)	109.4947	0.050	3	109.4947	0.002	3	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NB[5x3,5x5,20x6]CC)(H)3	H(CHHN)	H(CHHN)	C(NB[5x3,5x5,20x6]CC)(H)3	H(CHHN)	H(CHHN)	109.5121	0.085	8	109.5121	0.007	8	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NB[6,6]CH)(H)3	H(CHHN)	H(CHHN)	C(NB[6,6]CH)(H)3	H(CHHN)	H(CHHN)	109.4672	0.032	11	109.4672	0.001	11	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NB[6]CH)(H)3	H(CHHN)	H(CHHN)	C(NB[6]CH)(H)3	H(CHHN)	H(CHHN)	109.4750	0.000	1	109.4750	0.000	1	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NB[6]MgC)(H)3	H(CHHN)	H(CHHN)	C(NB[6]MgC)(H)3	H(CHHN)	H(CHHN)	107.5448	3.174	12	107.5448	10.073	12	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NBaCC)(H)3	H(CHHN)	H(CHHN)	C(NBaCC)(H)3	H(CHHN)	H(CHHN)	109.4576	0.104	16	109.4576	0.011	16	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NBiCC)(H)3	H(CHHN)	H(CHHN)	C(NBiCC)(H)3	H(CHHN)	H(CHHN)	109.4233	1.076	104	109.4233	1.157	104	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC3)(H)3	H(CHHN)	H(CHHN)	C(NC3)(H)3	H(CHHN)	H(CHHN)	109.6141	1.352	5300	109.6141	1.827	5300	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NCCD)(H)3	H(CHHN)	H(CHHN)	C(NCCD)(H)3	H(CHHN)	H(CHHN)	109.4707	0.054	3	109.4707	0.003	3	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NCCH)(H)3	H(CHHN)	H(CHHN)	C(NCCH)(H)3	H(CHHN)	H(CHHN)	109.6327	1.085	2191	109.6327	1.176	2191	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NCCN)(H)3	H(CHHN)	H(CHHN)	C(NCCN)(H)3	H(CHHN)	H(CHHN)	109.7400	0.719	107	109.7400	0.516	107	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NCCO)(H)3	H(CHHN)	H(CHHN)	C(NCCO)(H)3	H(CHHN)	H(CHHN)	109.6213	0.951	46	109.6213	0.904	46	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NCCV)(H)3	H(CHHN)	H(CHHN)	C(NCCV)(H)3	H(CHHN)	H(CHHN)	109.4712	0.045	31	109.4712	0.002	31	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NCCW)(H)3	H(CHHN)	H(CHHN)	C(NCCW)(H)3	H(CHHN)	H(CHHN)	109.4923	0.050	12	109.4923	0.002	12	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NCCY)(H)3	H(CHHN)	H(CHHN)	C(NCCY)(H)3	H(CHHN)	H(CHHN)	109.4612	0.057	10	109.4612	0.003	10	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NCDD)(H)3	H(CHHN)	H(CHHN)	C(NCDD)(H)3	H(CHHN)	H(CHHN)	109.4913	0.036	4	109.4913	0.001	4	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NCHH)(H)3	H(CHHN)	H(CHHN)	C(NCHH)(H)3	H(CHHN)	H(CHHN)	109.5314	1.106	2520	109.5314	1.222	2520	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NCHN)(H)3	H(CHHN)	H(CHHN)	C(NCHN)(H)3	H(CHHN)	H(CHHN)	110.1058	1.464	46	110.1058	2.143	46	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NCHO)(H)3	H(CHHN)	H(CHHN)	C(NCHO)(H)3	H(CHHN)	H(CHHN)	109.4597	0.015	3	109.4597	0.000	3	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NCHV)(H)3	H(CHHN)	H(CHHN)	C(NCHV)(H)3	H(CHHN)	H(CHHN)	109.4661	0.047	22	109.4661	0.002	22	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NCVV)(H)3	H(CHHN)	H(CHHN)	C(NCVV)(H)3	H(CHHN)	H(CHHN)	109.4820	0.049	6	109.4820	0.002	6	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[3x3,3x5,12x6]CH)(H)3	H(CHHN)	H(CHHN)	C(NC[3x3,3x5,12x6]CH)(H)3	H(CHHN)	H(CHHN)	111.6187	0.723	3	111.6187	0.523	3	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[3x6]CC)(H)3	H(CHHN)	H(CHHN)	C(NC[3x6]CC)(H)3	H(CHHN)	H(CHHN)	109.4735	0.059	25	109.4735	0.004	25	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[3x6]HH)(H)3	H(CHHN)	H(CHHN)	C(NC[3x6]HH)(H)3	H(CHHN)	H(CHHN)	109.4763	0.059	6	109.4763	0.004	6	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[4]CC)(H)3	H(CHHN)	H(CHHN)	C(NC[4]CC)(H)3	H(CHHN)	H(CHHN)	109.4730	0.098	5	109.4730	0.010	5	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[4x6]CH)(H)3	H(CHHN)	H(CHHN)	C(NC[4x6]CH)(H)3	H(CHHN)	H(CHHN)	109.4726	0.066	11	109.4726	0.004	11	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5,6]HH)(H)3	H(CHHN)	H(CHHN)	C(NC[5,6]HH)(H)3	H(CHHN)	H(CHHN)	112.5135	5.941	6	112.5135	35.294	6	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5]AuC)(H)3	H(CHHN)	H(CHHN)	C(NC[5]AuC)(H)3	H(CHHN)	H(CHHN)	109.4130	0.123	2	109.4130	0.015	2	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5]CC)(H)3	H(CHHN)	H(CHHN)	C(NC[5]CC)(H)3	H(CHHN)	H(CHHN)	109.4449	0.058	13	109.4449	0.003	13	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5]CH)(H)3	H(CHHN)	H(CHHN)	C(NC[5]CH)(H)3	H(CHHN)	H(CHHN)	109.4565	0.031	6	109.4565	0.001	6	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5]IrC)(H)3	H(CHHN)	H(CHHN)	C(NC[5]IrC)(H)3	H(CHHN)	H(CHHN)	109.4571	0.053	8	109.4571	0.003	8	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5]PdC)(H)3	H(CHHN)	H(CHHN)	C(NC[5]PdC)(H)3	H(CHHN)	H(CHHN)	109.4674	0.048	5	109.4674	0.002	5	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5]PdH)(H)3	H(CHHN)	H(CHHN)	C(NC[5]PdH)(H)3	H(CHHN)	H(CHHN)	109.5040	0.042	3	109.5040	0.002	3	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5]PtC)(H)3	H(CHHN)	H(CHHN)	C(NC[5]PtC)(H)3	H(CHHN)	H(CHHN)	109.4700	0.049	18	109.4700	0.002	18	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5]RhC)(H)3	H(CHHN)	H(CHHN)	C(NC[5]RhC)(H)3	H(CHHN)	H(CHHN)	109.3733	2.091	22	109.3733	4.373	22	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5]RuC)(H)3	H(CHHN)	H(CHHN)	C(NC[5]RuC)(H)3	H(CHHN)	H(CHHN)	109.4415	0.036	2	109.4415	0.001	2	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[5a]CC)(H)3	H(CHHN)	H(CHHN)	C(NC[5a]CC)(H)3	H(CHHN)	H(CHHN)	109.4430	0.027	6	109.4430	0.001	6	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6,6]CH)(H)3	H(CHHN)	H(CHHN)	C(NC[6,6]CH)(H)3	H(CHHN)	H(CHHN)	109.4820	0.045	5	109.4820	0.002	5	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]AlC)(H)3	H(CHHN)	H(CHHN)	C(NC[6]AlC)(H)3	H(CHHN)	H(CHHN)	109.4976	0.064	5	109.4976	0.004	5	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]CC)(H)3	H(CHHN)	H(CHHN)	C(NC[6]CC)(H)3	H(CHHN)	H(CHHN)	109.8172	2.222	40	109.8172	4.937	40	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]CH)(H)3	H(CHHN)	H(CHHN)	C(NC[6]CH)(H)3	H(CHHN)	H(CHHN)	110.0460	3.463	70	110.0460	11.990	70	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]CV)(H)3	H(CHHN)	H(CHHN)	C(NC[6]CV)(H)3	H(CHHN)	H(CHHN)	109.4977	0.064	12	109.4977	0.004	12	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]CoN)(H)3	H(CHHN)	H(CHHN)	C(NC[6]CoN)(H)3	H(CHHN)	H(CHHN)	109.4677	0.058	3	109.4677	0.003	3	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]CuC)(H)3	H(CHHN)	H(CHHN)	C(NC[6]CuC)(H)3	H(CHHN)	H(CHHN)	109.4721	0.068	92	109.4721	0.005	92	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]FeC)(H)3	H(CHHN)	H(CHHN)	C(NC[6]FeC)(H)3	H(CHHN)	H(CHHN)	109.4966	0.047	27	109.4966	0.002	27	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]HH)(H)3	H(CHHN)	H(CHHN)	C(NC[6]HH)(H)3	H(CHHN)	H(CHHN)	109.7791	0.915	46	109.7791	0.837	46	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]HgC)(H)3	H(CHHN)	H(CHHN)	C(NC[6]HgC)(H)3	H(CHHN)	H(CHHN)	109.4812	0.144	35	109.4812	0.021	35	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]LiC)(H)3	H(CHHN)	H(CHHN)	C(NC[6]LiC)(H)3	H(CHHN)	H(CHHN)	109.4706	0.062	102	109.4706	0.004	102	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]LuC)(H)3	H(CHHN)	H(CHHN)	C(NC[6]LuC)(H)3	H(CHHN)	H(CHHN)	109.4533	0.123	6	109.4533	0.015	6	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]MgC)(H)3	H(CHHN)	H(CHHN)	C(NC[6]MgC)(H)3	H(CHHN)	H(CHHN)	109.4671	0.055	8	109.4671	0.003	8	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]MnC)(H)3	H(CHHN)	H(CHHN)	C(NC[6]MnC)(H)3	H(CHHN)	H(CHHN)	109.4894	0.066	14	109.4894	0.004	14	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]Ni2)(H)3	H(CHHN)	H(CHHN)	C(NC[6]Ni2)(H)3	H(CHHN)	H(CHHN)	109.4721	0.088	10	109.4721	0.008	10	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]NiC)(H)3	H(CHHN)	H(CHHN)	C(NC[6]NiC)(H)3	H(CHHN)	H(CHHN)	109.4681	0.030	7	109.4681	0.001	7	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]PdC)(H)3	H(CHHN)	H(CHHN)	C(NC[6]PdC)(H)3	H(CHHN)	H(CHHN)	109.4730	0.047	4	109.4730	0.002	4	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]RuC)(H)3	H(CHHN)	H(CHHN)	C(NC[6]RuC)(H)3	H(CHHN)	H(CHHN)	109.4767	0.041	16	109.4767	0.002	16	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]ScC)(H)3	H(CHHN)	H(CHHN)	C(NC[6]ScC)(H)3	H(CHHN)	H(CHHN)	109.4588	0.054	6	109.4588	0.003	6	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6]ZnC)(H)3	H(CHHN)	H(CHHN)	C(NC[6]ZnC)(H)3	H(CHHN)	H(CHHN)	109.4725	0.054	180	109.4725	0.003	180	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]2Al)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]2Al)(H)3	H(CHHN)	H(CHHN)	109.4900	0.024	5	109.4900	0.001	5	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]2Ir)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]2Ir)(H)3	H(CHHN)	H(CHHN)	109.4860	0.000	1	109.4860	0.000	1	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]2Pd)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]2Pd)(H)3	H(CHHN)	H(CHHN)	109.4797	0.058	3	109.4797	0.003	3	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]2Re)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]2Re)(H)3	H(CHHN)	H(CHHN)	109.4820	0.026	3	109.4820	0.001	3	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]AlC)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]AlC)(H)3	H(CHHN)	H(CHHN)	109.4991	0.238	13	109.4991	0.057	13	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]AuC)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]AuC)(H)3	H(CHHN)	H(CHHN)	109.4645	0.054	32	109.4645	0.003	32	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]CC)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]CC)(H)3	H(CHHN)	H(CHHN)	109.6094	1.196	355	109.6094	1.430	355	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]CH)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]CH)(H)3	H(CHHN)	H(CHHN)	109.8560	1.796	497	109.8560	3.225	497	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]CW)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]CW)(H)3	H(CHHN)	H(CHHN)	109.4754	0.059	8	109.4754	0.004	8	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]C[6]Co)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]C[6]Co)(H)3	H(CHHN)	H(CHHN)	109.4562	0.041	5	109.4562	0.002	5	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]C[6]Fe)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]C[6]Fe)(H)3	H(CHHN)	H(CHHN)	109.4910	0.071	5	109.4910	0.005	5	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]C[6]Mn)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]C[6]Mn)(H)3	H(CHHN)	H(CHHN)	109.4490	0.028	3	109.4490	0.001	3	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]CdC)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]CdC)(H)3	H(CHHN)	H(CHHN)	109.4733	0.035	6	109.4733	0.001	6	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]CoC)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]CoC)(H)3	H(CHHN)	H(CHHN)	109.4684	0.034	7	109.4684	0.001	7	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]CrC)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]CrC)(H)3	H(CHHN)	H(CHHN)	109.2980	2.364	17	109.2980	5.587	17	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]CuC)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]CuC)(H)3	H(CHHN)	H(CHHN)	109.4717	0.057	75	109.4717	0.003	75	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]FeC)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]FeC)(H)3	H(CHHN)	H(CHHN)	109.4748	0.044	12	109.4748	0.002	12	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]HH)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]HH)(H)3	H(CHHN)	H(CHHN)	109.4695	0.039	17	109.4695	0.002	17	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]HgC)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]HgC)(H)3	H(CHHN)	H(CHHN)	111.6395	2.390	6	111.6395	5.714	6	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]IrC)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]IrC)(H)3	H(CHHN)	H(CHHN)	109.4775	0.068	39	109.4775	0.005	39	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]Li2)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]Li2)(H)3	H(CHHN)	H(CHHN)	109.4690	0.061	3	109.4690	0.004	3	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]LiC)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]LiC)(H)3	H(CHHN)	H(CHHN)	108.8192	1.338	16	108.8192	1.789	16	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]MnC)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]MnC)(H)3	H(CHHN)	H(CHHN)	109.4952	0.046	4	109.4952	0.002	4	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]MoC)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]MoC)(H)3	H(CHHN)	H(CHHN)	109.4689	0.043	11	109.4689	0.002	11	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]NiC)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]NiC)(H)3	H(CHHN)	H(CHHN)	109.4745	0.051	144	109.4745	0.003	144	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]NiH)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]NiH)(H)3	H(CHHN)	H(CHHN)	109.4731	0.040	9	109.4731	0.002	9	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]PdC)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]PdC)(H)3	H(CHHN)	H(CHHN)	109.2807	1.478	72	109.2807	2.185	72	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]PdH)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]PdH)(H)3	H(CHHN)	H(CHHN)	109.4972	0.073	9	109.4972	0.005	9	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]PtC)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]PtC)(H)3	H(CHHN)	H(CHHN)	109.4753	0.081	9	109.4753	0.006	9	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]ReC)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]ReC)(H)3	H(CHHN)	H(CHHN)	109.4802	0.039	8	109.4802	0.002	8	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]RhC)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]RhC)(H)3	H(CHHN)	H(CHHN)	109.4686	0.074	32	109.4686	0.006	32	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]RhH)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]RhH)(H)3	H(CHHN)	H(CHHN)	109.4695	0.058	24	109.4695	0.003	24	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]RuC)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]RuC)(H)3	H(CHHN)	H(CHHN)	109.4901	0.050	29	109.4901	0.002	29	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]RuH)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]RuH)(H)3	H(CHHN)	H(CHHN)	109.4753	0.054	7	109.4753	0.003	7	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]SbC)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]SbC)(H)3	H(CHHN)	H(CHHN)	109.4683	0.041	11	109.4683	0.002	11	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]SnC)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]SnC)(H)3	H(CHHN)	H(CHHN)	109.4631	0.048	9	109.4631	0.002	9	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]TeC)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]TeC)(H)3	H(CHHN)	H(CHHN)	109.4805	0.038	17	109.4805	0.001	17	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]ZrO)(H)3	H(CHHN)	H(CHHN)	C(NC[6a]ZrO)(H)3	H(CHHN)	H(CHHN)	109.4766	0.045	5	109.4766	0.002	5	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NCaBC)(H)3	H(CHHN)	H(CHHN)	C(NCaBC)(H)3	H(CHHN)	H(CHHN)	109.4927	0.067	3	109.4927	0.005	3	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NCaCC)(H)3	H(CHHN)	H(CHHN)	C(NCaCC)(H)3	H(CHHN)	H(CHHN)	109.4866	0.050	12	109.4866	0.003	12	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NCdCC)(H)3	H(CHHN)	H(CHHN)	C(NCdCC)(H)3	H(CHHN)	H(CHHN)	109.4557	0.158	65	109.4557	0.025	65	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NCeCC)(H)3	H(CHHN)	H(CHHN)	C(NCeCC)(H)3	H(CHHN)	H(CHHN)	109.4562	0.072	6	109.4562	0.005	6	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NCoCC)(H)3	H(CHHN)	H(CHHN)	C(NCoCC)(H)3	H(CHHN)	H(CHHN)	109.4456	0.603	534	109.4456	0.364	534	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NCoCH)(H)3	H(CHHN)	H(CHHN)	C(NCoCH)(H)3	H(CHHN)	H(CHHN)	109.4708	0.057	16	109.4708	0.003	16	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NCoHH)(H)3	H(CHHN)	H(CHHN)	C(NCoHH)(H)3	H(CHHN)	H(CHHN)	109.4692	0.042	10	109.4692	0.002	10	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NCrCC)(H)3	H(CHHN)	H(CHHN)	C(NCrCC)(H)3	H(CHHN)	H(CHHN)	109.4658	0.044	131	109.4658	0.002	131	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NCrCH)(H)3	H(CHHN)	H(CHHN)	C(NCrCH)(H)3	H(CHHN)	H(CHHN)	109.4673	0.045	3	109.4673	0.002	3	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NCuCC)(H)3	H(CHHN)	H(CHHN)	C(NCuCC)(H)3	H(CHHN)	H(CHHN)	109.3982	0.735	697	109.3982	0.541	697	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NCuCH)(H)3	H(CHHN)	H(CHHN)	C(NCuCH)(H)3	H(CHHN)	H(CHHN)	109.2142	1.134	39	109.2142	1.286	39	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NCuCN)(H)3	H(CHHN)	H(CHHN)	C(NCuCN)(H)3	H(CHHN)	H(CHHN)	109.4712	0.015	5	109.4712	0.000	5	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NCuHH)(H)3	H(CHHN)	H(CHHN)	C(NCuHH)(H)3	H(CHHN)	H(CHHN)	109.7118	5.186	18	109.7118	26.898	18	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NCuSiC)(H)3	H(CHHN)	H(CHHN)	C(NCuSiC)(H)3	H(CHHN)	H(CHHN)	109.4688	0.025	5	109.4688	0.001	5	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NEuCC)(H)3	H(CHHN)	H(CHHN)	C(NEuCC)(H)3	H(CHHN)	H(CHHN)	109.4528	0.077	6	109.4528	0.006	6	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NFe2C)(H)3	H(CHHN)	H(CHHN)	C(NFe2C)(H)3	H(CHHN)	H(CHHN)	109.4647	0.021	3	109.4647	0.000	3	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NFe2H)(H)3	H(CHHN)	H(CHHN)	C(NFe2H)(H)3	H(CHHN)	H(CHHN)	109.4617	0.092	3	109.4617	0.008	3	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NFe2N)(H)3	H(CHHN)	H(CHHN)	C(NFe2N)(H)3	H(CHHN)	H(CHHN)	109.4637	0.031	3	109.4637	0.001	3	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NFeCC)(H)3	H(CHHN)	H(CHHN)	C(NFeCC)(H)3	H(CHHN)	H(CHHN)	109.4368	0.808	752	109.4368	0.654	752	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NFeCH)(H)3	H(CHHN)	H(CHHN)	C(NFeCH)(H)3	H(CHHN)	H(CHHN)	109.4761	0.141	10	109.4761	0.020	10	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NFeCN)(H)3	H(CHHN)	H(CHHN)	C(NFeCN)(H)3	H(CHHN)	H(CHHN)	109.4684	0.053	5	109.4684	0.003	5	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NFeSiC)(H)3	H(CHHN)	H(CHHN)	C(NFeSiC)(H)3	H(CHHN)	H(CHHN)	109.4732	0.063	6	109.4732	0.004	6	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NGaCC)(H)3	H(CHHN)	H(CHHN)	C(NGaCC)(H)3	H(CHHN)	H(CHHN)	109.7524	1.774	18	109.7524	3.148	18	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NGaCH)(H)3	H(CHHN)	H(CHHN)	C(NGaCH)(H)3	H(CHHN)	H(CHHN)	109.4750	0.036	9	109.4750	0.001	9	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NGaHH)(H)3	H(CHHN)	H(CHHN)	C(NGaHH)(H)3	H(CHHN)	H(CHHN)	109.4777	0.044	3	109.4777	0.002	3	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NGa[4]CC)(H)3	H(CHHN)	H(CHHN)	C(NGa[4]CC)(H)3	H(CHHN)	H(CHHN)	109.4557	0.085	9	109.4557	0.007	9	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NGeCC)(H)3	H(CHHN)	H(CHHN)	C(NGeCC)(H)3	H(CHHN)	H(CHHN)	109.4764	0.054	5	109.4764	0.003	5	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NH3)(H)3	H(CHHN)	H(CHHN)	C(NH3)(H)3	H(CHHN)	H(CHHN)	109.5639	1.222	452	109.5639	1.494	452	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NHHN)(H)3	H(CHHN)	H(CHHN)	C(NHHN)(H)3	H(CHHN)	H(CHHN)	109.4648	0.130	50	109.4648	0.017	50	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NHHO)(H)3	H(CHHN)	H(CHHN)	C(NHHO)(H)3	H(CHHN)	H(CHHN)	111.7780	2.679	2	111.7780	7.174	2	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NHgCC)(H)3	H(CHHN)	H(CHHN)	C(NHgCC)(H)3	H(CHHN)	H(CHHN)	109.4676	0.049	12	109.4676	0.002	12	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NHoCC)(H)3	H(CHHN)	H(CHHN)	C(NHoCC)(H)3	H(CHHN)	H(CHHN)	109.4810	0.025	2	109.4810	0.001	2	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NInCC)(H)3	H(CHHN)	H(CHHN)	C(NInCC)(H)3	H(CHHN)	H(CHHN)	109.9475	2.283	15	109.9475	5.212	15	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NIn[5]CC)(H)3	H(CHHN)	H(CHHN)	C(NIn[5]CC)(H)3	H(CHHN)	H(CHHN)	109.4230	0.046	3	109.4230	0.002	3	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NIrCC)(H)3	H(CHHN)	H(CHHN)	C(NIrCC)(H)3	H(CHHN)	H(CHHN)	109.4642	0.077	25	109.4642	0.006	25	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NIrCH)(H)3	H(CHHN)	H(CHHN)	C(NIrCH)(H)3	H(CHHN)	H(CHHN)	109.5246	0.064	5	109.5246	0.004	5	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NIrCN)(H)3	H(CHHN)	H(CHHN)	C(NIrCN)(H)3	H(CHHN)	H(CHHN)	109.4732	0.018	4	109.4732	0.000	4	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NLaCC)(H)3	H(CHHN)	H(CHHN)	C(NLaCC)(H)3	H(CHHN)	H(CHHN)	109.4758	0.042	5	109.4758	0.002	5	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NLi2C)(H)3	H(CHHN)	H(CHHN)	C(NLi2C)(H)3	H(CHHN)	H(CHHN)	109.4827	0.022	3	109.4827	0.000	3	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NLiCC)(H)3	H(CHHN)	H(CHHN)	C(NLiCC)(H)3	H(CHHN)	H(CHHN)	109.4041	0.754	810	109.4041	0.569	810	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NLiCH)(H)3	H(CHHN)	H(CHHN)	C(NLiCH)(H)3	H(CHHN)	H(CHHN)	109.4819	0.105	75	109.4819	0.011	75	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NLiCN)(H)3	H(CHHN)	H(CHHN)	C(NLiCN)(H)3	H(CHHN)	H(CHHN)	109.4834	0.038	5	109.4834	0.001	5	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NLiSiC)(H)3	H(CHHN)	H(CHHN)	C(NLiSiC)(H)3	H(CHHN)	H(CHHN)	109.4581	0.047	17	109.4581	0.002	17	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NMgCC)(H)3	H(CHHN)	H(CHHN)	C(NMgCC)(H)3	H(CHHN)	H(CHHN)	109.4715	0.373	242	109.4715	0.139	242	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NMgCH)(H)3	H(CHHN)	H(CHHN)	C(NMgCH)(H)3	H(CHHN)	H(CHHN)	109.4967	0.021	3	109.4967	0.000	3	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NMgSiC)(H)3	H(CHHN)	H(CHHN)	C(NMgSiC)(H)3	H(CHHN)	H(CHHN)	109.5030	0.035	5	109.5030	0.001	5	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NMnCC)(H)3	H(CHHN)	H(CHHN)	C(NMnCC)(H)3	H(CHHN)	H(CHHN)	109.4738	1.194	162	109.4738	1.425	162	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NMnCH)(H)3	H(CHHN)	H(CHHN)	C(NMnCH)(H)3	H(CHHN)	H(CHHN)	109.4702	0.030	13	109.4702	0.001	13	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NMnHH)(H)3	H(CHHN)	H(CHHN)	C(NMnHH)(H)3	H(CHHN)	H(CHHN)	109.4800	0.051	2	109.4800	0.003	2	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NMoCC)(H)3	H(CHHN)	H(CHHN)	C(NMoCC)(H)3	H(CHHN)	H(CHHN)	109.4623	0.049	38	109.4623	0.002	38	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NMoCH)(H)3	H(CHHN)	H(CHHN)	C(NMoCH)(H)3	H(CHHN)	H(CHHN)	109.4633	0.032	4	109.4633	0.001	4	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NMoHH)(H)3	H(CHHN)	H(CHHN)	C(NMoHH)(H)3	H(CHHN)	H(CHHN)	109.4810	0.042	2	109.4810	0.002	2	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NN[5a]PdC)(H)3	H(CHHN)	H(CHHN)	C(NN[5a]PdC)(H)3	H(CHHN)	H(CHHN)	109.4442	0.041	12	109.4442	0.002	12	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NNdCC)(H)3	H(CHHN)	H(CHHN)	C(NNdCC)(H)3	H(CHHN)	H(CHHN)	109.4580	0.032	4	109.4580	0.001	4	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NNiCC)(H)3	H(CHHN)	H(CHHN)	C(NNiCC)(H)3	H(CHHN)	H(CHHN)	109.4401	0.869	956	109.4401	0.755	956	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NNiCH)(H)3	H(CHHN)	H(CHHN)	C(NNiCH)(H)3	H(CHHN)	H(CHHN)	109.4178	1.894	38	109.4178	3.589	38	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NNiCN)(H)3	H(CHHN)	H(CHHN)	C(NNiCN)(H)3	H(CHHN)	H(CHHN)	109.4604	0.038	16	109.4604	0.001	16	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NNiHH)(H)3	H(CHHN)	H(CHHN)	C(NNiHH)(H)3	H(CHHN)	H(CHHN)	109.4810	0.058	3	109.4810	0.003	3	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NOsCC)(H)3	H(CHHN)	H(CHHN)	C(NOsCC)(H)3	H(CHHN)	H(CHHN)	109.4830	0.531	41	109.4830	0.282	41	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NOsCH)(H)3	H(CHHN)	H(CHHN)	C(NOsCH)(H)3	H(CHHN)	H(CHHN)	109.4588	0.050	4	109.4588	0.002	4	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NPbCC)(H)3	H(CHHN)	H(CHHN)	C(NPbCC)(H)3	H(CHHN)	H(CHHN)	109.0951	2.955	35	109.0951	8.734	35	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NPdCC)(H)3	H(CHHN)	H(CHHN)	C(NPdCC)(H)3	H(CHHN)	H(CHHN)	109.4720	0.750	1748	109.4720	0.563	1748	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NPdCH)(H)3	H(CHHN)	H(CHHN)	C(NPdCH)(H)3	H(CHHN)	H(CHHN)	109.4733	0.037	26	109.4733	0.001	26	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NPdPtH)(H)3	H(CHHN)	H(CHHN)	C(NPdPtH)(H)3	H(CHHN)	H(CHHN)	109.4608	0.057	5	109.4608	0.003	5	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NPrCC)(H)3	H(CHHN)	H(CHHN)	C(NPrCC)(H)3	H(CHHN)	H(CHHN)	109.4666	0.061	5	109.4666	0.004	5	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NPtCC)(H)3	H(CHHN)	H(CHHN)	C(NPtCC)(H)3	H(CHHN)	H(CHHN)	109.4705	0.069	693	109.4705	0.005	693	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NPtCH)(H)3	H(CHHN)	H(CHHN)	C(NPtCH)(H)3	H(CHHN)	H(CHHN)	109.4781	0.050	24	109.4781	0.002	24	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NPtHH)(H)3	H(CHHN)	H(CHHN)	C(NPtHH)(H)3	H(CHHN)	H(CHHN)	109.2410	2.857	41	109.2410	8.164	41	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NReCC)(H)3	H(CHHN)	H(CHHN)	C(NReCC)(H)3	H(CHHN)	H(CHHN)	109.4605	0.070	30	109.4605	0.005	30	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NRhCC)(H)3	H(CHHN)	H(CHHN)	C(NRhCC)(H)3	H(CHHN)	H(CHHN)	109.4655	1.128	51	109.4655	1.272	51	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NRhCH)(H)3	H(CHHN)	H(CHHN)	C(NRhCH)(H)3	H(CHHN)	H(CHHN)	109.4764	0.032	10	109.4764	0.001	10	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NRhHH)(H)3	H(CHHN)	H(CHHN)	C(NRhHH)(H)3	H(CHHN)	H(CHHN)	109.4794	0.107	9	109.4794	0.011	9	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NRu2C)(H)3	H(CHHN)	H(CHHN)	C(NRu2C)(H)3	H(CHHN)	H(CHHN)	109.4674	0.031	16	109.4674	0.001	16	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NRuCC)(H)3	H(CHHN)	H(CHHN)	C(NRuCC)(H)3	H(CHHN)	H(CHHN)	109.4388	0.769	248	109.4388	0.592	248	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NRuCH)(H)3	H(CHHN)	H(CHHN)	C(NRuCH)(H)3	H(CHHN)	H(CHHN)	109.4712	0.036	13	109.4712	0.001	13	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NRuCN)(H)3	H(CHHN)	H(CHHN)	C(NRuCN)(H)3	H(CHHN)	H(CHHN)	109.4754	0.068	26	109.4754	0.005	26	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NRuHN)(H)3	H(CHHN)	H(CHHN)	C(NRuHN)(H)3	H(CHHN)	H(CHHN)	109.4885	0.081	2	109.4885	0.007	2	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NSbCC)(H)3	H(CHHN)	H(CHHN)	C(NSbCC)(H)3	H(CHHN)	H(CHHN)	109.4702	0.066	151	109.4702	0.004	151	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NSbCH)(H)3	H(CHHN)	H(CHHN)	C(NSbCH)(H)3	H(CHHN)	H(CHHN)	109.4578	0.072	8	109.4578	0.005	8	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NSi2C)(H)3	H(CHHN)	H(CHHN)	C(NSi2C)(H)3	H(CHHN)	H(CHHN)	109.4633	0.102	6	109.4633	0.010	6	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NSiCH)(H)3	H(CHHN)	H(CHHN)	C(NSiCH)(H)3	H(CHHN)	H(CHHN)	109.4600	0.052	5	109.4600	0.003	5	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NSiTiC)(H)3	H(CHHN)	H(CHHN)	C(NSiTiC)(H)3	H(CHHN)	H(CHHN)	109.4524	0.065	5	109.4524	0.004	5	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NSiZnC)(H)3	H(CHHN)	H(CHHN)	C(NSiZnC)(H)3	H(CHHN)	H(CHHN)	109.4702	0.052	14	109.4702	0.003	14	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NSn2C)(H)3	H(CHHN)	H(CHHN)	C(NSn2C)(H)3	H(CHHN)	H(CHHN)	109.4579	0.046	40	109.4579	0.002	40	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NSnCC)(H)3	H(CHHN)	H(CHHN)	C(NSnCC)(H)3	H(CHHN)	H(CHHN)	109.4645	0.541	252	109.4645	0.292	252	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NSnCH)(H)3	H(CHHN)	H(CHHN)	C(NSnCH)(H)3	H(CHHN)	H(CHHN)	109.4689	0.025	11	109.4689	0.001	11	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NSrCC)(H)3	H(CHHN)	H(CHHN)	C(NSrCC)(H)3	H(CHHN)	H(CHHN)	109.4675	0.051	4	109.4675	0.003	4	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NTaCC)(H)3	H(CHHN)	H(CHHN)	C(NTaCC)(H)3	H(CHHN)	H(CHHN)	109.4575	0.030	6	109.4575	0.001	6	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NTaCH)(H)3	H(CHHN)	H(CHHN)	C(NTaCH)(H)3	H(CHHN)	H(CHHN)	108.7195	3.049	6	108.7195	9.295	6	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NTeCC)(H)3	H(CHHN)	H(CHHN)	C(NTeCC)(H)3	H(CHHN)	H(CHHN)	109.4740	0.051	5	109.4740	0.003	5	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NThCC)(H)3	H(CHHN)	H(CHHN)	C(NThCC)(H)3	H(CHHN)	H(CHHN)	109.4703	0.027	3	109.4703	0.001	3	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NTiCC)(H)3	H(CHHN)	H(CHHN)	C(NTiCC)(H)3	H(CHHN)	H(CHHN)	109.6596	1.245	58	109.6596	1.550	58	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NTiCH)(H)3	H(CHHN)	H(CHHN)	C(NTiCH)(H)3	H(CHHN)	H(CHHN)	109.4659	0.914	91	109.4659	0.836	91	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NTiCN)(H)3	H(CHHN)	H(CHHN)	C(NTiCN)(H)3	H(CHHN)	H(CHHN)	109.4421	0.384	58	109.4421	0.147	58	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NTiCO)(H)3	H(CHHN)	H(CHHN)	C(NTiCO)(H)3	H(CHHN)	H(CHHN)	109.5261	1.131	14	109.5261	1.278	14	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NZnCC)(H)3	H(CHHN)	H(CHHN)	C(NZnCC)(H)3	H(CHHN)	H(CHHN)	109.4477	1.712	589	109.4477	2.930	589	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NZnCH)(H)3	H(CHHN)	H(CHHN)	C(NZnCH)(H)3	H(CHHN)	H(CHHN)	109.4653	0.044	18	109.4653	0.002	18	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	C-4:	C-4:	C(NZrCC)(H)3	H(CHHN)	H(CHHN)	C(NZrCC)(H)3	H(CHHN)	H(CHHN)	109.4644	0.058	5	109.4644	0.003	5	109.5362	1.239	23299	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:I-1:	C-4:	C-4:	C(NC3)(H)2(I)	H(CHIN)	H(CHIN)	C(NC3)(H)2(I)	H(CHIN)	H(CHIN)	107.4958	0.346	5	107.4958	0.120	5	107.4958	0.120	5	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[3]C[3]H[3]H)(H)3	H(CN[3]HH)	H(CN[3]HH)	C(N[3]C[3]H[3]H)(H)3	H(CN[3]HH)	H(CN[3]HH)	109.4875	0.018	2	109.4875	0.000	2	109.0599	6.672	18	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[3]C[3x3]2C)(H)3	H(CN[3]HH)	H(CN[3]HH)	C(N[3]C[3x3]2C)(H)3	H(CN[3]HH)	H(CN[3]HH)	106.0013	0.988	3	106.0013	0.976	3	109.0599	6.672	18	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[3]Nb[3,3]O[3]C)(H)3	H(CN[3]HH)	H(CN[3]HH)	C(N[3]Nb[3,3]O[3]C)(H)3	H(CN[3]HH)	H(CN[3]HH)	109.4593	0.052	7	109.4593	0.003	7	109.0599	6.672	18	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[3]Si[3]O[3]C)(H)3	H(CN[3]HH)	H(CN[3]HH)	C(N[3]Si[3]O[3]C)(H)3	H(CN[3]HH)	H(CN[3]HH)	109.9808	3.920	6	109.9808	15.363	6	109.0599	6.672	18	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[3x6]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(N[3x6]C[6,6]3)(Br)(H)2	H(CN[3x6]BrH)	H(CN[3x6]BrH)	C(N[3x6]C[6,6]3)(Br)(H)2	H(CN[3x6]BrH)	H(CN[3x6]BrH)	107.7450	0.000	1	107.7450	0.000	1	107.7450	0.000	1	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[3x6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(N[3x6]C[6,6]3)(Cl)(H)2	H(CN[3x6]ClH)	H(CN[3x6]ClH)	C(N[3x6]C[6,6]3)(Cl)(H)2	H(CN[3x6]ClH)	H(CN[3x6]ClH)	108.2697	1.263	11	108.2697	1.596	11	108.2697	1.596	11	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[3x6]-4:F-1:H-1:H-1:	C-4:	C-4:	C(N[3x6]C[6,6]3)(F)(H)2	H(CN[3x6]FH)	H(CN[3x6]FH)	C(N[3x6]C[6,6]3)(F)(H)2	H(CN[3x6]FH)	H(CN[3x6]FH)	108.4023	0.054	3	108.4023	0.003	3	108.4023	0.003	3	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[3x6]C[6,6]3)(H)3	H(CN[3x6]HH)	H(CN[3x6]HH)	C(N[3x6]C[6,6]3)(H)3	H(CN[3x6]HH)	H(CN[3x6]HH)	109.2683	1.340	204	109.2683	1.795	204	109.2747	1.736	211	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[3x6]Ga[6,6]C[6,6]O[6,6])(H)3	H(CN[3x6]HH)	H(CN[3x6]HH)	C(N[3x6]Ga[6,6]C[6,6]O[6,6])(H)3	H(CN[3x6]HH)	H(CN[3x6]HH)	109.4623	0.035	7	109.4623	0.001	7	109.2747	1.736	211	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[4,4,5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[4,4,5,5]C[4x4,6x5,6]2C)(H)3	H(CN[4,4,5,5]HH)	H(CN[4,4,5,5]HH)	C(N[4,4,5,5]C[4x4,6x5,6]2C)(H)3	H(CN[4,4,5,5]HH)	H(CN[4,4,5,5]HH)	109.4370	0.058	2	109.4370	0.003	2	109.4370	0.003	2	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[4]B[4]2C)(H)3	H(CN[4]HH)	H(CN[4]HH)	C(N[4]B[4]2C)(H)3	H(CN[4]HH)	H(CN[4]HH)	109.4819	0.031	13	109.4819	0.001	13	109.4756	0.002	51	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[4]C[4,6a]B[4]C)(H)3	H(CN[4]HH)	H(CN[4]HH)	C(N[4]C[4,6a]B[4]C)(H)3	H(CN[4]HH)	H(CN[4]HH)	109.4659	0.044	13	109.4659	0.002	13	109.4756	0.002	51	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[4]C[4]2B)(H)3	H(CN[4]HH)	H(CN[4]HH)	C(N[4]C[4]2B)(H)3	H(CN[4]HH)	H(CN[4]HH)	109.4905	0.018	2	109.4905	0.000	2	109.4756	0.002	51	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[4]C[4]2C[5])(H)3	H(CN[4]HH)	H(CN[4]HH)	C(N[4]C[4]2C[5])(H)3	H(CN[4]HH)	H(CN[4]HH)	109.4888	0.074	6	109.4888	0.005	6	109.4756	0.002	51	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[4]Ga[4]Si[4]C)(H)3	H(CN[4]HH)	H(CN[4]HH)	C(N[4]Ga[4]Si[4]C)(H)3	H(CN[4]HH)	H(CN[4]HH)	109.4718	0.056	17	109.4718	0.003	17	109.4756	0.002	51	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5,5,6]Ga[5,6]C[5,5]C[5,6])(H)3	H(CN[5,5,6]HH)	H(CN[5,5,6]HH)	C(N[5,5,6]Ga[5,6]C[5,5]C[5,6])(H)3	H(CN[5,5,6]HH)	H(CN[5,5,6]HH)	108.7510	1.414	3	108.7510	1.999	3	108.7510	1.999	3	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5,5]B[5,5]C[5]2)(H)3	H(CN[5,5]HH)	H(CN[5,5]HH)	C(N[5,5]B[5,5]C[5]2)(H)3	H(CN[5,5]HH)	H(CN[5,5]HH)	109.5545	0.487	135	109.5545	0.237	135	109.5385	0.192	168	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5,5]Ga[3x5]C[5]2)(H)3	H(CN[5,5]HH)	H(CN[5,5]HH)	C(N[5,5]Ga[3x5]C[5]2)(H)3	H(CN[5,5]HH)	H(CN[5,5]HH)	109.4799	0.057	7	109.4799	0.003	7	109.5385	0.192	168	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5,5]Ge[3x5]C[5]2)(H)3	H(CN[5,5]HH)	H(CN[5,5]HH)	C(N[5,5]Ge[3x5]C[5]2)(H)3	H(CN[5,5]HH)	H(CN[5,5]HH)	109.4725	0.034	6	109.4725	0.001	6	109.5385	0.192	168	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5,5]Ge[5,5]C[5]2)(H)3	H(CN[5,5]HH)	H(CN[5,5]HH)	C(N[5,5]Ge[5,5]C[5]2)(H)3	H(CN[5,5]HH)	H(CN[5,5]HH)	109.4454	0.085	5	109.4454	0.007	5	109.5385	0.192	168	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5,5]In[3x5]C[5]2)(H)3	H(CN[5,5]HH)	H(CN[5,5]HH)	C(N[5,5]In[3x5]C[5]2)(H)3	H(CN[5,5]HH)	H(CN[5,5]HH)	109.4706	0.064	12	109.4706	0.004	12	109.5385	0.192	168	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5,5]Si[3x5]C[5]2)(H)3	H(CN[5,5]HH)	H(CN[5,5]HH)	C(N[5,5]Si[3x5]C[5]2)(H)3	H(CN[5,5]HH)	H(CN[5,5]HH)	109.5120	0.099	3	109.5120	0.010	3	109.5385	0.192	168	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5,6]C[5,5,6]C[5,6]H)(H)3	H(CN[5,6]HH)	H(CN[5,6]HH)	C(N[5,6]C[5,5,6]C[5,6]H)(H)3	H(CN[5,6]HH)	H(CN[5,6]HH)	109.4530	0.054	2	109.4530	0.003	2	109.6489	1.136	77	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5,6]C[5,6]2B)(H)3	H(CN[5,6]HH)	H(CN[5,6]HH)	C(N[5,6]C[5,6]2B)(H)3	H(CN[5,6]HH)	H(CN[5,6]HH)	109.3887	0.086	3	109.3887	0.007	3	109.6489	1.136	77	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5,6]C[5,6]2C)(H)3	H(CN[5,6]HH)	H(CN[5,6]HH)	C(N[5,6]C[5,6]2C)(H)3	H(CN[5,6]HH)	H(CN[5,6]HH)	110.2649	1.854	15	110.2649	3.438	15	109.6489	1.136	77	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5,6]C[5,6]2H)(H)3	H(CN[5,6]HH)	H(CN[5,6]HH)	C(N[5,6]C[5,6]2H)(H)3	H(CN[5,6]HH)	H(CN[5,6]HH)	109.5348	0.941	36	109.5348	0.886	36	109.6489	1.136	77	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5,6]C[5,6]C[5]C[6])(H)3	H(CN[5,6]HH)	H(CN[5,6]HH)	C(N[5,6]C[5,6]C[5]C[6])(H)3	H(CN[5,6]HH)	H(CN[5,6]HH)	109.4664	0.038	11	109.4664	0.001	11	109.6489	1.136	77	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5,6]C[5,6]O[5,6]C[6])(H)3	H(CN[5,6]HH)	H(CN[5,6]HH)	C(N[5,6]C[5,6]O[5,6]C[6])(H)3	H(CN[5,6]HH)	H(CN[5,6]HH)	109.4700	0.085	3	109.4700	0.007	3	109.6489	1.136	77	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5,6]In[5,6,6]C[5]C[6])(H)3	H(CN[5,6]HH)	H(CN[5,6]HH)	C(N[5,6]In[5,6,6]C[5]C[6])(H)3	H(CN[5,6]HH)	H(CN[5,6]HH)	109.4580	0.027	2	109.4580	0.001	2	109.6489	1.136	77	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5,6]In[5,6]C[5]C[6])(H)3	H(CN[5,6]HH)	H(CN[5,6]HH)	C(N[5,6]In[5,6]C[5]C[6])(H)3	H(CN[5,6]HH)	H(CN[5,6]HH)	109.4645	0.039	2	109.4645	0.002	2	109.6489	1.136	77	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5,6]Nb[3,5,6]C[5]C[6])(H)3	H(CN[5,6]HH)	H(CN[5,6]HH)	C(N[5,6]Nb[3,5,6]C[5]C[6])(H)3	H(CN[5,6]HH)	H(CN[5,6]HH)	109.4273	0.040	3	109.4273	0.002	3	109.6489	1.136	77	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]B[5,5]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]B[5,5]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.6917	1.432	19	109.6917	2.050	19	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]B[5,6,6]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]B[5,6,6]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.7010	0.846	6	109.7010	0.716	6	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]B[5,6]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]B[5,6]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4764	0.055	19	109.4764	0.003	19	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]B[5,6]N[5]Li)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]B[5,6]N[5]Li)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4630	0.026	3	109.4630	0.001	3	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]B[5,6a]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]B[5,6a]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4819	0.040	15	109.4819	0.002	15	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]B[5]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]B[5]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4691	0.037	33	109.4691	0.001	33	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]B[5]C[5]Hf)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]B[5]C[5]Hf)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4820	0.035	3	109.4820	0.001	3	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5]C[5]H)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,5]C[5]H)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4708	0.057	5	109.4708	0.003	5	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5]C[5]O)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,5]C[5]O)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4505	0.148	6	109.4505	0.022	6	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,6]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4810	0.042	6	109.4810	0.002	6	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]C[5]H)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,6]C[5]H)(H)3	H(CN[5]HH)	H(CN[5]HH)	110.3394	1.442	12	110.3394	2.080	12	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]O[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,6]O[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4528	0.061	5	109.4528	0.004	5	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]O[5]H)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,6]O[5]H)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4877	0.026	3	109.4877	0.001	3	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]B[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,6a]B[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	110.0992	1.181	25	110.0992	1.395	25	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5]Al)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,6a]C[5]Al)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4827	0.028	4	109.4827	0.001	4	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,6a]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4703	0.027	24	109.4703	0.001	24	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]Ga[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5,6a]Ga[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4608	0.032	4	109.4608	0.001	4	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2B)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5]2B)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4797	0.036	11	109.4797	0.001	11	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2C)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5]2C)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.7869	0.925	255	109.7869	0.855	255	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2H)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5]2H)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4790	0.154	50	109.4790	0.024	50	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Li)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5]2Li)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4662	0.062	10	109.4662	0.004	10	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Ni)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5]2Ni)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4727	0.026	8	109.4727	0.001	8	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Pd)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5]2Pd)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4647	0.051	3	109.4647	0.003	3	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]N[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5]N[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4718	0.031	5	109.4718	0.001	5	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]O[5]H)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]C[5]O[5]H)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4888	0.039	5	109.4888	0.001	5	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]Ga[4,5]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]Ga[4,5]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4828	0.049	4	109.4828	0.002	4	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]Ga[5,5]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]Ga[5,5]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.8558	1.178	13	109.8558	1.387	13	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]Ga[5]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]Ga[5]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4642	0.099	22	109.4642	0.010	22	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]Ga[5]O[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]Ga[5]O[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	110.0088	2.745	6	110.0088	7.535	6	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]In[5,5]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]In[5,5]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4850	0.066	2	109.4850	0.004	2	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]In[5,6]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]In[5,6]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4963	0.042	4	109.4963	0.002	4	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]In[5]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]In[5]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4514	0.050	11	109.4514	0.003	11	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]Nb[3,5,6,6]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]Nb[3,5,6,6]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4583	0.053	11	109.4583	0.003	11	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]Nb[3,5,6]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]Nb[3,5,6]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4797	0.085	4	109.4797	0.007	4	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]Nb[3x3,5]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]Nb[3x3,5]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4809	0.063	9	109.4809	0.004	9	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]Nb[5,5]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]Nb[5,5]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4494	0.036	5	109.4494	0.001	5	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]Si[5,5]C[5]H)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]Si[5,5]C[5]H)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4510	0.088	2	109.4510	0.008	2	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]Si[5,5]N[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]Si[5,5]N[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4769	0.033	14	109.4769	0.001	14	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]Si[5]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]Si[5]C[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4706	0.043	5	109.4706	0.002	5	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5]Si[5]N[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	C(N[5]Si[5]N[5]C)(H)3	H(CN[5]HH)	H(CN[5]HH)	109.4868	0.045	9	109.4868	0.002	9	109.6543	0.603	660	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5a]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5a]B[5a]2H)(H)3	H(CN[5a]HH)	H(CN[5a]HH)	C(N[5a]B[5a]2H)(H)3	H(CN[5a]HH)	H(CN[5a]HH)	109.4715	0.051	6	109.4715	0.003	6	109.4683	0.002	23	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5a]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5a]B[5a]2Li)(H)3	H(CN[5a]HH)	H(CN[5a]HH)	C(N[5a]B[5a]2Li)(H)3	H(CN[5a]HH)	H(CN[5a]HH)	109.4523	0.059	6	109.4523	0.003	6	109.4683	0.002	23	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5a]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5a]B[5a]2Mg)(H)3	H(CN[5a]HH)	H(CN[5a]HH)	C(N[5a]B[5a]2Mg)(H)3	H(CN[5a]HH)	H(CN[5a]HH)	109.4788	0.046	6	109.4788	0.002	6	109.4683	0.002	23	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5a]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a]N[5a]C)(H)3	H(CN[5a]HH)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a]C)(H)3	H(CN[5a]HH)	H(CN[5a]HH)	109.4708	0.030	5	109.4708	0.001	5	109.4683	0.002	23	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[5x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[5x6]Ga[5x6]Ga[6,6]Ga[6x6])(H)3	H(CN[5x6]HH)	H(CN[5x6]HH)	C(N[5x6]Ga[5x6]Ga[6,6]Ga[6x6])(H)3	H(CN[5x6]HH)	H(CN[5x6]HH)	109.4887	0.040	6	109.4887	0.002	6	109.4887	0.002	6	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6,6]C[3x6]C[6,6]H)(H)3	H(CN[6,6]HH)	H(CN[6,6]HH)	C(N[6,6]C[3x6]C[6,6]H)(H)3	H(CN[6,6]HH)	H(CN[6,6]HH)	109.4790	0.025	5	109.4790	0.001	5	109.4645	0.002	34	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6,6]C[3x6]C[6]2)(H)3	H(CN[6,6]HH)	H(CN[6,6]HH)	C(N[6,6]C[3x6]C[6]2)(H)3	H(CN[6,6]HH)	H(CN[6,6]HH)	109.4430	0.040	3	109.4430	0.002	3	109.4645	0.002	34	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6,6]C[4,6,6]C[6,6]H)(H)3	H(CN[6,6]HH)	H(CN[6,6]HH)	C(N[6,6]C[4,6,6]C[6,6]H)(H)3	H(CN[6,6]HH)	H(CN[6,6]HH)	109.4505	0.013	2	109.4505	0.000	2	109.4645	0.002	34	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6,6]C[6,6]2H)(H)3	H(CN[6,6]HH)	H(CN[6,6]HH)	C(N[6,6]C[6,6]2H)(H)3	H(CN[6,6]HH)	H(CN[6,6]HH)	109.4623	0.039	3	109.4623	0.001	3	109.4645	0.002	34	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6,6]C[6,6]C[6]2)(H)3	H(CN[6,6]HH)	H(CN[6,6]HH)	C(N[6,6]C[6,6]C[6]2)(H)3	H(CN[6,6]HH)	H(CN[6,6]HH)	109.4669	0.050	18	109.4669	0.002	18	109.4645	0.002	34	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6,6]C[6,6]Ga[6]C[6])(H)3	H(CN[6,6]HH)	H(CN[6,6]HH)	C(N[6,6]C[6,6]Ga[6]C[6])(H)3	H(CN[6,6]HH)	H(CN[6,6]HH)	109.4587	0.020	3	109.4587	0.000	3	109.4645	0.002	34	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]B[6]O[6]H)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]B[6]O[6]H)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4807	0.024	3	109.4807	0.001	3	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[5,6,6]C[6]H)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[5,6,6]C[6]H)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4655	0.016	2	109.4655	0.000	2	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[5,6]C[6]C)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[5,6]C[6]C)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4700	0.035	3	109.4700	0.001	3	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]C[6]C)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6,6]C[6]C)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4769	0.039	17	109.4769	0.001	17	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]C[6]H)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6,6]C[6]H)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.6186	2.070	49	109.6186	4.286	49	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]C[6]N)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6,6]C[6]N)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4815	0.015	2	109.4815	0.000	2	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]C[6]O)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6,6]C[6]O)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4687	0.022	3	109.4687	0.000	3	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]C[6]Pd)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6,6]C[6]Pd)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.5128	0.099	10	109.5128	0.010	10	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]2C)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6,6a]2C)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4800	0.033	4	109.4800	0.001	4	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]B[6]C)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6,6a]B[6]C)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4768	0.046	28	109.4768	0.002	28	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6]C)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6,6a]C[6]C)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.7419	0.651	28	109.7419	0.424	28	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Al)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6]2Al)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.8289	2.875	14	109.8289	8.264	14	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2C)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6]2C)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.5753	0.969	242	109.5753	0.939	242	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Co)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6]2Co)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4315	0.006	2	109.4315	0.000	2	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Cr)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6]2Cr)(H)3	H(CN[6]HH)	H(CN[6]HH)	108.9986	1.216	11	108.9986	1.478	11	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Cu)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6]2Cu)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4759	0.056	18	109.4759	0.003	18	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Fe)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6]2Fe)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4811	0.050	9	109.4811	0.002	9	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2H)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6]2H)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.5367	1.352	435	109.5367	1.828	435	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Mn)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6]2Mn)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4370	0.004	2	109.4370	0.000	2	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2N)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6]2N)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4873	0.008	3	109.4873	0.000	3	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Ni)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6]2Ni)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4588	0.047	35	109.4588	0.002	35	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2O)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6]2O)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4724	0.036	8	109.4724	0.001	8	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Pd)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6]2Pd)(H)3	H(CN[6]HH)	H(CN[6]HH)	108.7400	1.212	2	108.7400	1.469	2	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Pt)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6]2Pt)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.5603	0.363	3	109.5603	0.132	3	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Re)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6]2Re)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4727	0.037	7	109.4727	0.001	7	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Rh)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6]2Rh)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4747	0.057	3	109.4747	0.003	3	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Ru)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6]2Ru)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4900	0.000	1	109.4900	0.000	1	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Ti)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6]2Ti)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.5194	0.043	5	109.5194	0.002	5	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Zn)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6]2Zn)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4598	0.066	13	109.4598	0.004	13	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]N[6]C)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]C[6]N[6]C)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4797	0.045	35	109.4797	0.002	35	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]Ga[4,6]C[6]C)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]Ga[4,6]C[6]C)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4507	0.053	3	109.4507	0.003	3	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]Ga[6]2C)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]Ga[6]2C)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4804	0.042	8	109.4804	0.002	8	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]Ga[6]2H)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]Ga[6]2H)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4727	0.083	7	109.4727	0.007	7	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]Ga[6]C[6]H)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]Ga[6]C[6]H)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4840	0.027	3	109.4840	0.001	3	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]Ga[6]O[6]C)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]Ga[6]O[6]C)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4897	0.233	6	109.4897	0.054	6	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]In[4,6]C[6]C)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]In[4,6]C[6]C)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4860	0.048	2	109.4860	0.002	2	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6]Nb[6,6]C[6]C)(H)3	H(CN[6]HH)	H(CN[6]HH)	C(N[6]Nb[6,6]C[6]C)(H)3	H(CN[6]HH)	H(CN[6]HH)	109.4643	0.041	3	109.4643	0.002	3	109.5374	1.333	1029	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6a]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6a]B[6,6a]N[6a]C)(H)3	H(CN[6a]HH)	H(CN[6a]HH)	C(N[6a]B[6,6a]N[6a]C)(H)3	H(CN[6a]HH)	H(CN[6a]HH)	109.4414	0.049	7	109.4414	0.002	7	109.4626	0.002	22	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6a]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6a]B[6a]2Mn)(H)3	H(CN[6a]HH)	H(CN[6a]HH)	C(N[6a]B[6a]2Mn)(H)3	H(CN[6a]HH)	H(CN[6a]HH)	109.4715	0.046	10	109.4715	0.002	10	109.4626	0.002	22	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	N[6a]-4:H-1:H-1:H-1:	C-4:	C-4:	C(N[6a]C[6a,6a]C[6a]C)(H)3	H(CN[6a]HH)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a]C)(H)3	H(CN[6a]HH)	H(CN[6a]HH)	109.4744	0.043	5	109.4744	0.002	5	109.4626	0.002	22	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	O-4:H-1:H-1:H-1:	C-4:	C-4:	C(OAlLi2)(H)3	H(CHHO)	H(CHHO)	C(OAlLi2)(H)3	H(CHHO)	H(CHHO)	109.4690	0.034	5	109.4690	0.001	5	109.4718	0.003	158	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	O-4:H-1:H-1:H-1:	C-4:	C-4:	C(OCo3)(H)3	H(CHHO)	H(CHHO)	C(OCo3)(H)3	H(CHHO)	H(CHHO)	109.4861	0.059	25	109.4861	0.003	25	109.4718	0.003	158	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	O-4:H-1:H-1:H-1:	C-4:	C-4:	C(OCoNi2)(H)3	H(CHHO)	H(CHHO)	C(OCoNi2)(H)3	H(CHHO)	H(CHHO)	109.4550	0.046	3	109.4550	0.002	3	109.4718	0.003	158	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	O-4:H-1:H-1:H-1:	C-4:	C-4:	C(OCr3)(H)3	H(CHHO)	H(CHHO)	C(OCr3)(H)3	H(CHHO)	H(CHHO)	109.4700	0.043	3	109.4700	0.002	3	109.4718	0.003	158	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	O-4:H-1:H-1:H-1:	C-4:	C-4:	C(OFe3)(H)3	H(CHHO)	H(CHHO)	C(OFe3)(H)3	H(CHHO)	H(CHHO)	109.4585	0.059	4	109.4585	0.003	4	109.4718	0.003	158	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	O-4:H-1:H-1:H-1:	C-4:	C-4:	C(OFeMo2)(H)3	H(CHHO)	H(CHHO)	C(OFeMo2)(H)3	H(CHHO)	H(CHHO)	109.4940	0.046	3	109.4940	0.002	3	109.4718	0.003	158	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	O-4:H-1:H-1:H-1:	C-4:	C-4:	C(OLi2H)(H)3	H(CHHO)	H(CHHO)	C(OLi2H)(H)3	H(CHHO)	H(CHHO)	109.4830	0.046	3	109.4830	0.002	3	109.4718	0.003	158	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	O-4:H-1:H-1:H-1:	C-4:	C-4:	C(OLiZn2)(H)3	H(CHHO)	H(CHHO)	C(OLiZn2)(H)3	H(CHHO)	H(CHHO)	109.4457	0.031	3	109.4457	0.001	3	109.4718	0.003	158	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	O-4:H-1:H-1:H-1:	C-4:	C-4:	C(OMg3)(H)3	H(CHHO)	H(CHHO)	C(OMg3)(H)3	H(CHHO)	H(CHHO)	109.4749	0.078	7	109.4749	0.006	7	109.4718	0.003	158	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	O-4:H-1:H-1:H-1:	C-4:	C-4:	C(OMo3)(H)3	H(CHHO)	H(CHHO)	C(OMo3)(H)3	H(CHHO)	H(CHHO)	109.4833	0.026	3	109.4833	0.001	3	109.4718	0.003	158	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	O-4:H-1:H-1:H-1:	C-4:	C-4:	C(ONi3)(H)3	H(CHHO)	H(CHHO)	C(ONi3)(H)3	H(CHHO)	H(CHHO)	109.4701	0.063	88	109.4701	0.004	88	109.4718	0.003	158	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	O-4:H-1:H-1:H-1:	C-4:	C-4:	C(OPt3)(H)3	H(CHHO)	H(CHHO)	C(OPt3)(H)3	H(CHHO)	H(CHHO)	109.4540	0.038	2	109.4540	0.001	2	109.4718	0.003	158	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	O-4:H-1:H-1:H-1:	C-4:	C-4:	C(OZn3)(H)3	H(CHHO)	H(CHHO)	C(OZn3)(H)3	H(CHHO)	H(CHHO)	109.4573	0.052	9	109.4573	0.003	9	109.4718	0.003	158	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:Br-1:H-1:H-1:	C-4:	C-4:	C(PC[5a]BC)(Br)(H)2	H(CBrHP)	H(CBrHP)	C(PC[5a]BC)(Br)(H)2	H(CBrHP)	H(CBrHP)	108.0870	0.000	1	108.0870	0.000	1	108.0870	0.000	1	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(PB[3,3,5,5,6,6]C[6a]2)(Cl)(H)2	H(CClHP)	H(CClHP)	C(PB[3,3,5,5,6,6]C[6a]2)(Cl)(H)2	H(CClHP)	H(CClHP)	107.8180	0.000	1	107.8180	0.000	1	109.1562	8.611	15	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(PB[3x3,5x5,6,6]C[6a]2)(Cl)(H)2	H(CClHP)	H(CClHP)	C(PB[3x3,5x5,6,6]C[6a]2)(Cl)(H)2	H(CClHP)	H(CClHP)	107.7740	0.000	1	107.7740	0.000	1	109.1562	8.611	15	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(PC3)(Cl)(H)2	H(CClHP)	H(CClHP)	C(PC3)(Cl)(H)2	H(CClHP)	H(CClHP)	112.2972	2.706	5	112.2972	7.320	5	109.1562	8.611	15	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2C)(Cl)(H)2	H(CClHP)	H(CClHP)	C(PC[6a]2C)(Cl)(H)2	H(CClHP)	H(CClHP)	107.9690	0.105	2	107.9690	0.011	2	109.1562	8.611	15	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]3)(Cl)(H)2	H(CClHP)	H(CClHP)	C(PC[6a]3)(Cl)(H)2	H(CClHP)	H(CClHP)	106.9975	2.221	4	106.9975	4.932	4	109.1562	8.611	15	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]CO)(Cl)(H)2	H(CClHP)	H(CClHP)	C(PC[6a]CO)(Cl)(H)2	H(CClHP)	H(CClHP)	108.1685	0.169	2	108.1685	0.029	2	109.1562	8.611	15	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:F-1:H-1:H-1:	C-4:	C-4:	C(PC3)(F)(H)2	H(CFHP)	H(CFHP)	C(PC3)(F)(H)2	H(CFHP)	H(CFHP)	108.7950	0.335	2	108.7950	0.112	2	108.3183	0.162	7	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:F-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2O)(F)(H)2	H(CFHP)	H(CFHP)	C(PC[6a]2O)(F)(H)2	H(CFHP)	H(CFHP)	108.2973	0.027	3	108.2973	0.001	3	108.3183	0.162	7	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:F-1:H-1:H-1:	C-4:	C-4:	C(PN3)(F)(H)2	H(CFHP)	H(CFHP)	C(PN3)(F)(H)2	H(CFHP)	H(CFHP)	107.8730	0.061	2	107.8730	0.004	2	108.3183	0.162	7	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PAgCC)(H)3	H(CHHP)	H(CHHP)	C(PAgCC)(H)3	H(CHHP)	H(CHHP)	109.4590	0.072	17	109.4590	0.005	17	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PAlCC)(H)3	H(CHHP)	H(CHHP)	C(PAlCC)(H)3	H(CHHP)	H(CHHP)	109.4757	0.071	25	109.4757	0.005	25	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PAsCC)(H)3	H(CHHP)	H(CHHP)	C(PAsCC)(H)3	H(CHHP)	H(CHHP)	109.4520	0.036	3	109.4520	0.001	3	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PAs[6a]CC)(H)3	H(CHHP)	H(CHHP)	C(PAs[6a]CC)(H)3	H(CHHP)	H(CHHP)	109.4539	0.053	18	109.4539	0.003	18	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PAuCC)(H)3	H(CHHP)	H(CHHP)	C(PAuCC)(H)3	H(CHHP)	H(CHHP)	109.4711	0.072	42	109.4711	0.005	42	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PBCC)(H)3	H(CHHP)	H(CHHP)	C(PBCC)(H)3	H(CHHP)	H(CHHP)	109.3982	0.462	107	109.3982	0.213	107	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PBCH)(H)3	H(CHHP)	H(CHHP)	C(PBCH)(H)3	H(CHHP)	H(CHHP)	109.4756	0.057	5	109.4756	0.003	5	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PBCN)(H)3	H(CHHP)	H(CHHP)	C(PBCN)(H)3	H(CHHP)	H(CHHP)	109.4602	0.016	6	109.4602	0.000	6	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PBCO)(H)3	H(CHHP)	H(CHHP)	C(PBCO)(H)3	H(CHHP)	H(CHHP)	109.4895	0.042	6	109.4895	0.002	6	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PB[3,3,5]C[6a]2)(H)3	H(CHHP)	H(CHHP)	C(PB[3,3,5]C[6a]2)(H)3	H(CHHP)	H(CHHP)	109.4873	0.050	3	109.4873	0.002	3	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PB[3x3,3x5,12x6]CC)(H)3	H(CHHP)	H(CHHP)	C(PB[3x3,3x5,12x6]CC)(H)3	H(CHHP)	H(CHHP)	109.4845	0.035	4	109.4845	0.001	4	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PB[3x3,5,5,7x6]C[6a]C)(H)3	H(CHHP)	H(CHHP)	C(PB[3x3,5,5,7x6]C[6a]C)(H)3	H(CHHP)	H(CHHP)	109.4340	0.034	2	109.4340	0.001	2	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PB[4x3,3x5,12x6]C[6a]C)(H)3	H(CHHP)	H(CHHP)	C(PB[4x3,3x5,12x6]C[6a]C)(H)3	H(CHHP)	H(CHHP)	109.4578	0.050	4	109.4578	0.002	4	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PB[5]CC)(H)3	H(CHHP)	H(CHHP)	C(PB[5]CC)(H)3	H(CHHP)	H(CHHP)	109.4930	0.056	11	109.4930	0.003	11	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PB[5a]CC)(H)3	H(CHHP)	H(CHHP)	C(PB[5a]CC)(H)3	H(CHHP)	H(CHHP)	109.4732	0.040	10	109.4732	0.002	10	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PB[6,6]CC)(H)3	H(CHHP)	H(CHHP)	C(PB[6,6]CC)(H)3	H(CHHP)	H(CHHP)	109.4672	0.044	5	109.4672	0.002	5	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PB[6]CC)(H)3	H(CHHP)	H(CHHP)	C(PB[6]CC)(H)3	H(CHHP)	H(CHHP)	109.4666	0.052	17	109.4666	0.003	17	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PB[6a]CC)(H)3	H(CHHP)	H(CHHP)	C(PB[6a]CC)(H)3	H(CHHP)	H(CHHP)	109.3556	2.377	9	109.3556	5.650	9	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PBrCN)(H)3	H(CHHP)	H(CHHP)	C(PBrCN)(H)3	H(CHHP)	H(CHHP)	109.4672	0.036	5	109.4672	0.001	5	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC3)(H)3	H(CHHP)	H(CHHP)	C(PC3)(H)3	H(CHHP)	H(CHHP)	109.6653	1.137	281	109.6653	1.292	281	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PCCF)(H)3	H(CHHP)	H(CHHP)	C(PCCF)(H)3	H(CHHP)	H(CHHP)	110.9041	3.186	10	110.9041	10.153	10	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PCCH)(H)3	H(CHHP)	H(CHHP)	C(PCCH)(H)3	H(CHHP)	H(CHHP)	109.5927	2.725	62	109.5927	7.425	62	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PCCN)(H)3	H(CHHP)	H(CHHP)	C(PCCN)(H)3	H(CHHP)	H(CHHP)	109.4716	0.047	35	109.4716	0.002	35	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PCCO)(H)3	H(CHHP)	H(CHHP)	C(PCCO)(H)3	H(CHHP)	H(CHHP)	109.5173	0.845	127	109.5173	0.713	127	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PCCP)(H)3	H(CHHP)	H(CHHP)	C(PCCP)(H)3	H(CHHP)	H(CHHP)	109.5869	1.751	168	109.5869	3.065	168	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PCCS)(H)3	H(CHHP)	H(CHHP)	C(PCCS)(H)3	H(CHHP)	H(CHHP)	109.4787	0.041	7	109.4787	0.002	7	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PCCU)(H)3	H(CHHP)	H(CHHP)	C(PCCU)(H)3	H(CHHP)	H(CHHP)	109.4662	0.082	47	109.4662	0.007	47	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PCCV)(H)3	H(CHHP)	H(CHHP)	C(PCCV)(H)3	H(CHHP)	H(CHHP)	109.4375	1.745	127	109.4375	3.046	127	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PCCW)(H)3	H(CHHP)	H(CHHP)	C(PCCW)(H)3	H(CHHP)	H(CHHP)	109.2562	2.109	878	109.2562	4.448	878	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PCHO)(H)3	H(CHHP)	H(CHHP)	C(PCHO)(H)3	H(CHHP)	H(CHHP)	109.4873	0.025	3	109.4873	0.001	3	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PCNN)(H)3	H(CHHP)	H(CHHP)	C(PCNN)(H)3	H(CHHP)	H(CHHP)	109.4590	0.027	5	109.4590	0.001	5	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PCNO)(H)3	H(CHHP)	H(CHHP)	C(PCNO)(H)3	H(CHHP)	H(CHHP)	109.4697	0.051	26	109.4697	0.003	26	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PCNP)(H)3	H(CHHP)	H(CHHP)	C(PCNP)(H)3	H(CHHP)	H(CHHP)	109.4512	0.098	23	109.4512	0.010	23	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PCNS)(H)3	H(CHHP)	H(CHHP)	C(PCNS)(H)3	H(CHHP)	H(CHHP)	110.2938	1.974	24	110.2938	3.897	24	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PCNW)(H)3	H(CHHP)	H(CHHP)	C(PCNW)(H)3	H(CHHP)	H(CHHP)	109.4450	0.026	4	109.4450	0.001	4	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PCOO)(H)3	H(CHHP)	H(CHHP)	C(PCOO)(H)3	H(CHHP)	H(CHHP)	109.4059	1.747	21	109.4059	3.053	21	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PCOS)(H)3	H(CHHP)	H(CHHP)	C(PCOS)(H)3	H(CHHP)	H(CHHP)	109.4725	0.046	4	109.4725	0.002	4	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PCPP)(H)3	H(CHHP)	H(CHHP)	C(PCPP)(H)3	H(CHHP)	H(CHHP)	109.4794	0.036	5	109.4794	0.001	5	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PCPS)(H)3	H(CHHP)	H(CHHP)	C(PCPS)(H)3	H(CHHP)	H(CHHP)	109.6375	0.997	22	109.6375	0.993	22	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PCWW)(H)3	H(CHHP)	H(CHHP)	C(PCWW)(H)3	H(CHHP)	H(CHHP)	109.4885	0.021	2	109.4885	0.000	2	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[3x3,3x5,12x6]C[6a]2)(H)3	H(CHHP)	H(CHHP)	C(PC[3x3,3x5,12x6]C[6a]2)(H)3	H(CHHP)	H(CHHP)	109.4560	0.028	2	109.4560	0.001	2	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[3x6]PdC)(H)3	H(CHHP)	H(CHHP)	C(PC[3x6]PdC)(H)3	H(CHHP)	H(CHHP)	109.4830	0.072	3	109.4830	0.005	3	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[5,6]CC)(H)3	H(CHHP)	H(CHHP)	C(PC[5,6]CC)(H)3	H(CHHP)	H(CHHP)	109.8412	1.052	9	109.8412	1.107	9	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[5]2C)(H)3	H(CHHP)	H(CHHP)	C(PC[5]2C)(H)3	H(CHHP)	H(CHHP)	110.0201	0.998	11	110.0201	0.996	11	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[5]CC)(H)3	H(CHHP)	H(CHHP)	C(PC[5]CC)(H)3	H(CHHP)	H(CHHP)	109.4712	0.049	35	109.4712	0.002	35	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[5]CN)(H)3	H(CHHP)	H(CHHP)	C(PC[5]CN)(H)3	H(CHHP)	H(CHHP)	110.0134	6.816	6	110.0134	46.452	6	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[5]CO)(H)3	H(CHHP)	H(CHHP)	C(PC[5]CO)(H)3	H(CHHP)	H(CHHP)	110.2123	3.824	6	110.2123	14.625	6	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[5]Mo2)(H)3	H(CHHP)	H(CHHP)	C(PC[5]Mo2)(H)3	H(CHHP)	H(CHHP)	109.4893	0.030	3	109.4893	0.001	3	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[5]MoC)(H)3	H(CHHP)	H(CHHP)	C(PC[5]MoC)(H)3	H(CHHP)	H(CHHP)	109.4917	0.055	10	109.4917	0.003	10	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[5]PtC)(H)3	H(CHHP)	H(CHHP)	C(PC[5]PtC)(H)3	H(CHHP)	H(CHHP)	109.4720	0.041	5	109.4720	0.002	5	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[5a]BC)(H)3	H(CHHP)	H(CHHP)	C(PC[5a]BC)(H)3	H(CHHP)	H(CHHP)	109.4815	0.016	2	109.4815	0.000	2	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[5a]C[6a]2)(H)3	H(CHHP)	H(CHHP)	C(PC[5a]C[6a]2)(H)3	H(CHHP)	H(CHHP)	109.4557	0.042	6	109.4557	0.002	6	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[5x3,5x5,20x6]PtC)(H)3	H(CHHP)	H(CHHP)	C(PC[5x3,5x5,20x6]PtC)(H)3	H(CHHP)	H(CHHP)	109.4749	0.052	10	109.4749	0.003	10	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6]2B)(H)3	H(CHHP)	H(CHHP)	C(PC[6]2B)(H)3	H(CHHP)	H(CHHP)	109.4553	0.050	9	109.4553	0.002	9	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6]2O)(H)3	H(CHHP)	H(CHHP)	C(PC[6]2O)(H)3	H(CHHP)	H(CHHP)	109.4670	0.064	3	109.4670	0.004	3	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6]2P)(H)3	H(CHHP)	H(CHHP)	C(PC[6]2P)(H)3	H(CHHP)	H(CHHP)	109.4736	0.044	14	109.4736	0.002	14	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6]3)(H)3	H(CHHP)	H(CHHP)	C(PC[6]3)(H)3	H(CHHP)	H(CHHP)	109.7223	0.787	3	109.7223	0.620	3	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6]BC)(H)3	H(CHHP)	H(CHHP)	C(PC[6]BC)(H)3	H(CHHP)	H(CHHP)	109.4787	0.072	3	109.4787	0.005	3	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6]CC)(H)3	H(CHHP)	H(CHHP)	C(PC[6]CC)(H)3	H(CHHP)	H(CHHP)	110.7193	3.767	19	110.7193	14.188	19	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6]CO)(H)3	H(CHHP)	H(CHHP)	C(PC[6]CO)(H)3	H(CHHP)	H(CHHP)	109.4475	0.042	2	109.4475	0.002	2	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6]CW)(H)3	H(CHHP)	H(CHHP)	C(PC[6]CW)(H)3	H(CHHP)	H(CHHP)	109.4514	0.059	7	109.4514	0.003	7	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6]FeC)(H)3	H(CHHP)	H(CHHP)	C(PC[6]FeC)(H)3	H(CHHP)	H(CHHP)	110.8953	4.183	6	110.8953	17.499	6	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6]IrC)(H)3	H(CHHP)	H(CHHP)	C(PC[6]IrC)(H)3	H(CHHP)	H(CHHP)	109.5150	0.094	3	109.5150	0.009	3	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6]MoC)(H)3	H(CHHP)	H(CHHP)	C(PC[6]MoC)(H)3	H(CHHP)	H(CHHP)	109.4455	0.056	6	109.4455	0.003	6	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6]NiC)(H)3	H(CHHP)	H(CHHP)	C(PC[6]NiC)(H)3	H(CHHP)	H(CHHP)	109.2798	3.423	6	109.2798	11.719	6	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6]RuC)(H)3	H(CHHP)	H(CHHP)	C(PC[6]RuC)(H)3	H(CHHP)	H(CHHP)	109.4689	0.072	8	109.4689	0.005	8	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2As)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]2As)(H)3	H(CHHP)	H(CHHP)	109.4870	0.031	3	109.4870	0.001	3	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Au)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]2Au)(H)3	H(CHHP)	H(CHHP)	109.5145	0.136	6	109.5145	0.018	6	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2B)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]2B)(H)3	H(CHHP)	H(CHHP)	109.4495	0.072	13	109.4495	0.005	13	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2C)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]2C)(H)3	H(CHHP)	H(CHHP)	109.4768	0.052	67	109.4768	0.003	67	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2C[5])(H)3	H(CHHP)	H(CHHP)	C(PC[6a]2C[5])(H)3	H(CHHP)	H(CHHP)	109.4712	0.049	36	109.4712	0.002	36	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Co)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]2Co)(H)3	H(CHHP)	H(CHHP)	109.4679	0.043	31	109.4679	0.002	31	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cr)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]2Cr)(H)3	H(CHHP)	H(CHHP)	109.4643	0.025	3	109.4643	0.001	3	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cu)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]2Cu)(H)3	H(CHHP)	H(CHHP)	108.9849	0.991	20	108.9849	0.982	20	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Fe)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]2Fe)(H)3	H(CHHP)	H(CHHP)	109.4685	0.062	22	109.4685	0.004	22	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2In)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]2In)(H)3	H(CHHP)	H(CHHP)	109.4315	0.043	4	109.4315	0.002	4	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]2Ir)(H)3	H(CHHP)	H(CHHP)	109.4619	0.060	25	109.4619	0.004	25	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Mo)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]2Mo)(H)3	H(CHHP)	H(CHHP)	109.4770	0.051	31	109.4770	0.003	31	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2N)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]2N)(H)3	H(CHHP)	H(CHHP)	109.4656	0.045	49	109.4656	0.002	49	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ni)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]2Ni)(H)3	H(CHHP)	H(CHHP)	109.3679	0.559	16	109.3679	0.312	16	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2O)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]2O)(H)3	H(CHHP)	H(CHHP)	109.4789	0.033	39	109.4789	0.001	39	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Os)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]2Os)(H)3	H(CHHP)	H(CHHP)	109.4508	0.049	20	109.4508	0.002	20	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]2Pd)(H)3	H(CHHP)	H(CHHP)	109.4780	0.054	37	109.4780	0.003	37	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]2Pt)(H)3	H(CHHP)	H(CHHP)	109.4777	0.056	26	109.4777	0.003	26	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Re)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]2Re)(H)3	H(CHHP)	H(CHHP)	109.4748	0.068	38	109.4748	0.005	38	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Rh)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]2Rh)(H)3	H(CHHP)	H(CHHP)	109.4731	0.124	22	109.4731	0.015	22	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]2Ru)(H)3	H(CHHP)	H(CHHP)	109.4341	0.162	32	109.4341	0.026	32	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2S)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]2S)(H)3	H(CHHP)	H(CHHP)	109.4893	0.060	6	109.4893	0.004	6	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Se)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]2Se)(H)3	H(CHHP)	H(CHHP)	109.5007	0.049	3	109.5007	0.002	3	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2W)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]2W)(H)3	H(CHHP)	H(CHHP)	109.4311	0.841	61	109.4311	0.708	61	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]3)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]3)(H)3	H(CHHP)	H(CHHP)	109.4964	0.320	200	109.4964	0.102	200	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]AgC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]AgC)(H)3	H(CHHP)	H(CHHP)	109.4218	0.268	6	109.4218	0.072	6	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]AlC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]AlC)(H)3	H(CHHP)	H(CHHP)	109.4527	0.047	7	109.4527	0.002	7	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]AsC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]AsC)(H)3	H(CHHP)	H(CHHP)	109.4748	0.064	12	109.4748	0.004	12	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]AuC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]AuC)(H)3	H(CHHP)	H(CHHP)	109.4382	0.057	5	109.4382	0.003	5	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]BC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]BC)(H)3	H(CHHP)	H(CHHP)	109.5466	0.527	61	109.5466	0.277	61	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]BN)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]BN)(H)3	H(CHHP)	H(CHHP)	109.4770	0.044	2	109.4770	0.002	2	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]CC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]CC)(H)3	H(CHHP)	H(CHHP)	109.4053	1.619	94	109.4053	2.620	94	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]CH)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]CH)(H)3	H(CHHP)	H(CHHP)	108.7283	1.328	16	108.7283	1.764	16	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]CN)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]CN)(H)3	H(CHHP)	H(CHHP)	109.4881	0.048	11	109.4881	0.002	11	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]CO)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]CO)(H)3	H(CHHP)	H(CHHP)	109.4664	0.051	24	109.4664	0.003	24	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]CS)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]CS)(H)3	H(CHHP)	H(CHHP)	109.4567	0.032	4	109.4567	0.001	4	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]CV)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]CV)(H)3	H(CHHP)	H(CHHP)	109.4778	0.066	6	109.4778	0.004	6	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]CW)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]CW)(H)3	H(CHHP)	H(CHHP)	109.0008	1.019	95	109.0008	1.039	95	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]CY)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]CY)(H)3	H(CHHP)	H(CHHP)	109.4759	0.068	10	109.4759	0.005	10	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[3]S)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]C[3]S)(H)3	H(CHHP)	H(CHHP)	109.4695	0.032	2	109.4695	0.001	2	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[5]B)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]C[5]B)(H)3	H(CHHP)	H(CHHP)	109.4740	0.041	9	109.4740	0.002	9	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[5]C)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]C[5]C)(H)3	H(CHHP)	H(CHHP)	109.4626	0.072	13	109.4626	0.005	13	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[5]Pd)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]C[5]Pd)(H)3	H(CHHP)	H(CHHP)	109.4678	0.107	5	109.4678	0.011	5	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[6]Pd)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]C[6]Pd)(H)3	H(CHHP)	H(CHHP)	109.4790	0.079	2	109.4790	0.006	2	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[6]Rh)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]C[6]Rh)(H)3	H(CHHP)	H(CHHP)	109.4300	0.087	3	109.4300	0.008	3	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]CoC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]CoC)(H)3	H(CHHP)	H(CHHP)	109.4671	0.061	63	109.4671	0.004	63	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]CrC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]CrC)(H)3	H(CHHP)	H(CHHP)	109.4820	1.992	10	109.4820	3.966	10	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]CuC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]CuC)(H)3	H(CHHP)	H(CHHP)	109.4697	0.067	14	109.4697	0.004	14	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]FeC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]FeC)(H)3	H(CHHP)	H(CHHP)	109.9821	2.536	123	109.9821	6.432	123	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]GaN)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]GaN)(H)3	H(CHHP)	H(CHHP)	109.4885	0.047	4	109.4885	0.002	4	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]InC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]InC)(H)3	H(CHHP)	H(CHHP)	109.4086	0.241	11	109.4086	0.058	11	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]IrC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]IrC)(H)3	H(CHHP)	H(CHHP)	109.4714	0.081	50	109.4714	0.007	50	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]MnC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]MnC)(H)3	H(CHHP)	H(CHHP)	109.4618	0.059	17	109.4618	0.003	17	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]MoC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]MoC)(H)3	H(CHHP)	H(CHHP)	109.4592	0.047	9	109.4592	0.002	9	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]NN)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]NN)(H)3	H(CHHP)	H(CHHP)	109.4799	0.046	21	109.4799	0.002	21	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]NP)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]NP)(H)3	H(CHHP)	H(CHHP)	109.5152	0.073	5	109.5152	0.005	5	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]N[5]O)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]N[5]O)(H)3	H(CHHP)	H(CHHP)	109.4802	0.047	4	109.4802	0.002	4	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]N[5a]Pd)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]N[5a]Pd)(H)3	H(CHHP)	H(CHHP)	109.4540	0.121	3	109.4540	0.015	3	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]NbC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]NbC)(H)3	H(CHHP)	H(CHHP)	109.4312	0.263	5	109.4312	0.069	5	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]NiC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]NiC)(H)3	H(CHHP)	H(CHHP)	109.4517	1.407	52	109.4517	1.978	52	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]OO)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]OO)(H)3	H(CHHP)	H(CHHP)	109.2797	0.773	6	109.2797	0.598	6	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]OsC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]OsC)(H)3	H(CHHP)	H(CHHP)	109.4558	0.166	53	109.4558	0.027	53	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]PdB)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]PdB)(H)3	H(CHHP)	H(CHHP)	109.4537	0.037	3	109.4537	0.001	3	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]PdC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]PdC)(H)3	H(CHHP)	H(CHHP)	109.3770	1.372	126	109.3770	1.882	126	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]PdH)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]PdH)(H)3	H(CHHP)	H(CHHP)	109.4700	0.069	3	109.4700	0.005	3	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]PtC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]PtC)(H)3	H(CHHP)	H(CHHP)	109.4866	1.034	202	109.4866	1.069	202	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]PtO)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]PtO)(H)3	H(CHHP)	H(CHHP)	109.4430	0.056	3	109.4430	0.003	3	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]ReC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]ReC)(H)3	H(CHHP)	H(CHHP)	109.4625	0.152	187	109.4625	0.023	187	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]RhC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]RhC)(H)3	H(CHHP)	H(CHHP)	109.4650	0.048	83	109.4650	0.002	83	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]RuC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]RuC)(H)3	H(CHHP)	H(CHHP)	109.5746	1.259	99	109.5746	1.586	99	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]ScC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]ScC)(H)3	H(CHHP)	H(CHHP)	109.4878	0.035	6	109.4878	0.001	6	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]SnC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]SnC)(H)3	H(CHHP)	H(CHHP)	109.4714	0.049	8	109.4714	0.002	8	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]TaC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]TaC)(H)3	H(CHHP)	H(CHHP)	109.5599	0.708	15	109.5599	0.502	15	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]TcC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]TcC)(H)3	H(CHHP)	H(CHHP)	109.1538	4.347	20	109.1538	18.894	20	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]TiC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]TiC)(H)3	H(CHHP)	H(CHHP)	111.6793	4.568	12	111.6793	20.865	12	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]ZrC)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]ZrC)(H)3	H(CHHP)	H(CHHP)	109.4867	0.044	3	109.4867	0.002	3	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PClGaN)(H)3	H(CHHP)	H(CHHP)	C(PClGaN)(H)3	H(CHHP)	H(CHHP)	109.4860	0.014	2	109.4860	0.000	2	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PCoCC)(H)3	H(CHHP)	H(CHHP)	C(PCoCC)(H)3	H(CHHP)	H(CHHP)	109.4254	2.135	1049	109.4254	4.557	1049	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PCr2C)(H)3	H(CHHP)	H(CHHP)	C(PCr2C)(H)3	H(CHHP)	H(CHHP)	108.7115	2.385	16	108.7115	5.688	16	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PCrCC)(H)3	H(CHHP)	H(CHHP)	C(PCrCC)(H)3	H(CHHP)	H(CHHP)	108.9447	2.441	89	108.9447	5.960	89	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PCrCS)(H)3	H(CHHP)	H(CHHP)	C(PCrCS)(H)3	H(CHHP)	H(CHHP)	109.4568	0.035	6	109.4568	0.001	6	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PCuCC)(H)3	H(CHHP)	H(CHHP)	C(PCuCC)(H)3	H(CHHP)	H(CHHP)	109.4425	0.309	168	109.4425	0.096	168	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PFeCC)(H)3	H(CHHP)	H(CHHP)	C(PFeCC)(H)3	H(CHHP)	H(CHHP)	109.4725	0.663	1378	109.4725	0.439	1378	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PFeMo2)(H)3	H(CHHP)	H(CHHP)	C(PFeMo2)(H)3	H(CHHP)	H(CHHP)	109.4560	0.027	6	109.4560	0.001	6	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PGaCC)(H)3	H(CHHP)	H(CHHP)	C(PGaCC)(H)3	H(CHHP)	H(CHHP)	109.0882	2.669	5	109.0882	7.124	5	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PGeCC)(H)3	H(CHHP)	H(CHHP)	C(PGeCC)(H)3	H(CHHP)	H(CHHP)	109.4575	0.033	11	109.4575	0.001	11	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PGe[5]CC)(H)3	H(CHHP)	H(CHHP)	C(PGe[5]CC)(H)3	H(CHHP)	H(CHHP)	109.4725	0.064	4	109.4725	0.004	4	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PHNW)(H)3	H(CHHP)	H(CHHP)	C(PHNW)(H)3	H(CHHP)	H(CHHP)	109.4810	0.071	2	109.4810	0.005	2	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PHPW)(H)3	H(CHHP)	H(CHHP)	C(PHPW)(H)3	H(CHHP)	H(CHHP)	109.4567	0.034	3	109.4567	0.001	3	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PHfCC)(H)3	H(CHHP)	H(CHHP)	C(PHfCC)(H)3	H(CHHP)	H(CHHP)	109.8549	3.528	38	109.8549	12.445	38	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PIrCC)(H)3	H(CHHP)	H(CHHP)	C(PIrCC)(H)3	H(CHHP)	H(CHHP)	109.3741	1.527	808	109.3741	2.331	808	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PIrCN)(H)3	H(CHHP)	H(CHHP)	C(PIrCN)(H)3	H(CHHP)	H(CHHP)	109.4820	0.028	2	109.4820	0.001	2	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PIrCO)(H)3	H(CHHP)	H(CHHP)	C(PIrCO)(H)3	H(CHHP)	H(CHHP)	109.4535	0.049	4	109.4535	0.002	4	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PLiCC)(H)3	H(CHHP)	H(CHHP)	C(PLiCC)(H)3	H(CHHP)	H(CHHP)	109.4590	0.000	1	109.4590	0.000	1	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PMnCC)(H)3	H(CHHP)	H(CHHP)	C(PMnCC)(H)3	H(CHHP)	H(CHHP)	109.3576	0.935	110	109.3576	0.874	110	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PMnCO)(H)3	H(CHHP)	H(CHHP)	C(PMnCO)(H)3	H(CHHP)	H(CHHP)	109.4559	0.046	8	109.4559	0.002	8	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PMnMo2)(H)3	H(CHHP)	H(CHHP)	C(PMnMo2)(H)3	H(CHHP)	H(CHHP)	109.4960	0.068	3	109.4960	0.005	3	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PMo2P)(H)3	H(CHHP)	H(CHHP)	C(PMo2P)(H)3	H(CHHP)	H(CHHP)	109.4743	0.045	3	109.4743	0.002	3	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PMo2Re)(H)3	H(CHHP)	H(CHHP)	C(PMo2Re)(H)3	H(CHHP)	H(CHHP)	109.4467	0.042	3	109.4467	0.002	3	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PMoCC)(H)3	H(CHHP)	H(CHHP)	C(PMoCC)(H)3	H(CHHP)	H(CHHP)	109.4358	0.462	953	109.4358	0.213	953	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PMoPW)(H)3	H(CHHP)	H(CHHP)	C(PMoPW)(H)3	H(CHHP)	H(CHHP)	109.6150	0.212	3	109.6150	0.045	3	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PNNS)(H)3	H(CHHP)	H(CHHP)	C(PNNS)(H)3	H(CHHP)	H(CHHP)	105.1807	3.808	3	105.1807	14.503	3	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PN[5]CC)(H)3	H(CHHP)	H(CHHP)	C(PN[5]CC)(H)3	H(CHHP)	H(CHHP)	109.4931	0.060	7	109.4931	0.004	7	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PN[5a]2S)(H)3	H(CHHP)	H(CHHP)	C(PN[5a]2S)(H)3	H(CHHP)	H(CHHP)	110.8667	2.747	3	110.8667	7.544	3	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PN[6]CS)(H)3	H(CHHP)	H(CHHP)	C(PN[6]CS)(H)3	H(CHHP)	H(CHHP)	109.4558	0.065	9	109.4558	0.004	9	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PNb[10x3]CC)(H)3	H(CHHP)	H(CHHP)	C(PNb[10x3]CC)(H)3	H(CHHP)	H(CHHP)	108.4864	0.416	9	108.4864	0.173	9	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PNb[10x3]C[6a]2)(H)3	H(CHHP)	H(CHHP)	C(PNb[10x3]C[6a]2)(H)3	H(CHHP)	H(CHHP)	109.4440	0.028	2	109.4440	0.001	2	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PNb[3,3]CC)(H)3	H(CHHP)	H(CHHP)	C(PNb[3,3]CC)(H)3	H(CHHP)	H(CHHP)	107.3616	1.942	9	107.3616	3.771	9	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PNb[5]CC)(H)3	H(CHHP)	H(CHHP)	C(PNb[5]CC)(H)3	H(CHHP)	H(CHHP)	109.4774	0.055	5	109.4774	0.003	5	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PNb[5x3]CC)(H)3	H(CHHP)	H(CHHP)	C(PNb[5x3]CC)(H)3	H(CHHP)	H(CHHP)	109.4609	0.096	11	109.4609	0.009	11	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PNiCC)(H)3	H(CHHP)	H(CHHP)	C(PNiCC)(H)3	H(CHHP)	H(CHHP)	109.4619	1.579	496	109.4619	2.492	496	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PNiCO)(H)3	H(CHHP)	H(CHHP)	C(PNiCO)(H)3	H(CHHP)	H(CHHP)	109.4723	0.056	15	109.4723	0.003	15	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PO3)(H)3	H(CHHP)	H(CHHP)	C(PO3)(H)3	H(CHHP)	H(CHHP)	109.3489	0.953	61	109.3489	0.908	61	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(POOS)(H)3	H(CHHP)	H(CHHP)	C(POOS)(H)3	H(CHHP)	H(CHHP)	109.4816	0.030	5	109.4816	0.001	5	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(POsCC)(H)3	H(CHHP)	H(CHHP)	C(POsCC)(H)3	H(CHHP)	H(CHHP)	109.4563	0.063	104	109.4563	0.004	104	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PP[4,4]CC)(H)3	H(CHHP)	H(CHHP)	C(PP[4,4]CC)(H)3	H(CHHP)	H(CHHP)	109.4830	0.008	2	109.4830	0.000	2	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PP[4]CC)(H)3	H(CHHP)	H(CHHP)	C(PP[4]CC)(H)3	H(CHHP)	H(CHHP)	110.6211	1.800	9	110.6211	3.241	9	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PPdCC)(H)3	H(CHHP)	H(CHHP)	C(PPdCC)(H)3	H(CHHP)	H(CHHP)	109.3697	0.750	605	109.3697	0.563	605	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PPdCO)(H)3	H(CHHP)	H(CHHP)	C(PPdCO)(H)3	H(CHHP)	H(CHHP)	109.4788	0.189	6	109.4788	0.036	6	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PPtCC)(H)3	H(CHHP)	H(CHHP)	C(PPtCC)(H)3	H(CHHP)	H(CHHP)	109.3472	1.077	655	109.3472	1.161	655	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PPtCO)(H)3	H(CHHP)	H(CHHP)	C(PPtCO)(H)3	H(CHHP)	H(CHHP)	109.4886	0.025	7	109.4886	0.001	7	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PReCC)(H)3	H(CHHP)	H(CHHP)	C(PReCC)(H)3	H(CHHP)	H(CHHP)	109.4655	1.426	184	109.4655	2.033	184	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PRhCC)(H)3	H(CHHP)	H(CHHP)	C(PRhCC)(H)3	H(CHHP)	H(CHHP)	109.4587	1.016	670	109.4587	1.032	670	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PRu2C)(H)3	H(CHHP)	H(CHHP)	C(PRu2C)(H)3	H(CHHP)	H(CHHP)	109.2918	1.161	18	109.2918	1.348	18	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PRuCC)(H)3	H(CHHP)	H(CHHP)	C(PRuCC)(H)3	H(CHHP)	H(CHHP)	109.3829	1.940	1020	109.3829	3.762	1020	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PRuCN)(H)3	H(CHHP)	H(CHHP)	C(PRuCN)(H)3	H(CHHP)	H(CHHP)	109.4890	0.016	2	109.4890	0.000	2	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PRuCO)(H)3	H(CHHP)	H(CHHP)	C(PRuCO)(H)3	H(CHHP)	H(CHHP)	109.8786	0.844	15	109.8786	0.712	15	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PRuCP)(H)3	H(CHHP)	H(CHHP)	C(PRuCP)(H)3	H(CHHP)	H(CHHP)	109.4595	0.057	16	109.4595	0.003	16	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PSbCC)(H)3	H(CHHP)	H(CHHP)	C(PSbCC)(H)3	H(CHHP)	H(CHHP)	109.4669	0.043	42	109.4669	0.002	42	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PSeCC)(H)3	H(CHHP)	H(CHHP)	C(PSeCC)(H)3	H(CHHP)	H(CHHP)	109.5103	0.137	7	109.5103	0.019	7	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PSiCC)(H)3	H(CHHP)	H(CHHP)	C(PSiCC)(H)3	H(CHHP)	H(CHHP)	109.4733	0.055	30	109.4733	0.003	30	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PSnCC)(H)3	H(CHHP)	H(CHHP)	C(PSnCC)(H)3	H(CHHP)	H(CHHP)	109.4625	0.033	19	109.4625	0.001	19	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PTaCC)(H)3	H(CHHP)	H(CHHP)	C(PTaCC)(H)3	H(CHHP)	H(CHHP)	109.4586	0.128	72	109.4586	0.016	72	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PTcCC)(H)3	H(CHHP)	H(CHHP)	C(PTcCC)(H)3	H(CHHP)	H(CHHP)	108.8861	1.991	13	108.8861	3.965	13	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PThCC)(H)3	H(CHHP)	H(CHHP)	C(PThCC)(H)3	H(CHHP)	H(CHHP)	109.4752	0.049	11	109.4752	0.002	11	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PTiCC)(H)3	H(CHHP)	H(CHHP)	C(PTiCC)(H)3	H(CHHP)	H(CHHP)	109.4806	0.058	32	109.4806	0.003	32	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	C-4:	C-4:	C(PZrCC)(H)3	H(CHHP)	H(CHHP)	C(PZrCC)(H)3	H(CHHP)	H(CHHP)	109.2806	3.694	130	109.2806	13.648	130	109.4311	2.014	13773	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:I-1:	C-4:	C-4:	C(PC[6a]3)(H)2(I)	H(CHIP)	H(CHIP)	C(PC[6a]3)(H)2(I)	H(CHIP)	H(CHIP)	107.8498	0.062	4	107.8498	0.004	4	107.8498	0.004	4	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:O-1:	C-4:	C-4:	C(PC[6a]ReC)(H)2(O)	H(CHOP)	H(CHOP)	C(PC[6a]ReC)(H)2(O)	H(CHOP)	H(CHOP)	109.0750	0.000	1	109.0750	0.000	1	108.1002	0.175	11	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:O-1:	C-4:	C-4:	C(PRhCC)(H)2(O)	H(CHOP)	H(CHOP)	C(PRhCC)(H)2(O)	H(CHOP)	H(CHOP)	108.0351	0.303	8	108.0351	0.092	8	108.1002	0.175	11	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:O-1:	C-4:	C-4:	C(PRuCC)(H)2(O)	H(CHOP)	H(CHOP)	C(PRuCC)(H)2(O)	H(CHOP)	H(CHOP)	107.8730	0.130	2	107.8730	0.017	2	108.1002	0.175	11	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[3,3,5,4x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6])(H)3	H(CP[3,3,5,4x6]HH)	H(CP[3,3,5,4x6]HH)	C(P[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6])(H)3	H(CP[3,3,5,4x6]HH)	H(CP[3,3,5,4x6]HH)	109.3847	0.274	3	109.3847	0.075	3	109.3847	0.075	3	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[3]C[3,5,6]2W)(H)3	H(CP[3]HH)	H(CP[3]HH)	C(P[3]C[3,5,6]2W)(H)3	H(CP[3]HH)	H(CP[3]HH)	109.4660	0.024	3	109.4660	0.001	3	109.4656	0.001	8	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[3]C[3]2W)(H)3	H(CP[3]HH)	H(CP[3]HH)	C(P[3]C[3]2W)(H)3	H(CP[3]HH)	H(CP[3]HH)	109.4810	0.052	2	109.4810	0.003	2	109.4656	0.001	8	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[3]C[3]P[3]W)(H)3	H(CP[3]HH)	H(CP[3]HH)	C(P[3]C[3]P[3]W)(H)3	H(CP[3]HH)	H(CP[3]HH)	109.4550	0.022	3	109.4550	0.000	3	109.4656	0.001	8	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[4,4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[4,4]C[4,4]C[4]2)(H)3	H(CP[4,4]HH)	H(CP[4,4]HH)	C(P[4,4]C[4,4]C[4]2)(H)3	H(CP[4,4]HH)	H(CP[4,4]HH)	109.4810	0.043	5	109.4810	0.002	5	109.4810	0.002	5	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[4]C[4,6a]2C[6a])(H)3	H(CP[4]HH)	H(CP[4]HH)	C(P[4]C[4,6a]2C[6a])(H)3	H(CP[4]HH)	H(CP[4]HH)	109.4475	0.004	4	109.4475	0.000	4	109.4648	0.001	25	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[4]C[4]2C)(H)3	H(CP[4]HH)	H(CP[4]HH)	C(P[4]C[4]2C)(H)3	H(CP[4]HH)	H(CP[4]HH)	109.4700	0.049	4	109.4700	0.002	4	109.4648	0.001	25	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[4]C[4]P[4]C)(H)3	H(CP[4]HH)	H(CP[4]HH)	C(P[4]C[4]P[4]C)(H)3	H(CP[4]HH)	H(CP[4]HH)	109.4767	0.024	3	109.4767	0.001	3	109.4648	0.001	25	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[4]C[6]P[4]2)(H)3	H(CP[4]HH)	H(CP[4]HH)	C(P[4]C[6]P[4]2)(H)3	H(CP[4]HH)	H(CP[4]HH)	109.4602	0.054	5	109.4602	0.003	5	109.4648	0.001	25	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[4]N[4]2N)(H)3	H(CP[4]HH)	H(CP[4]HH)	C(P[4]N[4]2N)(H)3	H(CP[4]HH)	H(CP[4]HH)	109.4820	0.051	2	109.4820	0.003	2	109.4648	0.001	25	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[4]P[4]2C)(H)3	H(CP[4]HH)	H(CP[4]HH)	C(P[4]P[4]2C)(H)3	H(CP[4]HH)	H(CP[4]HH)	109.4650	0.035	7	109.4650	0.001	7	109.4648	0.001	25	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5,5]C[5,5,6]2C[6a])(H)3	H(CP[5,5]HH)	H(CP[5,5]HH)	C(P[5,5]C[5,5,6]2C[6a])(H)3	H(CP[5,5]HH)	H(CP[5,5]HH)	109.4523	0.024	3	109.4523	0.001	3	109.4523	0.001	3	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[5]2O)(Cl)(H)2	H(CP[5]ClH)	H(CP[5]ClH)	C(P[5]C[5]2O)(Cl)(H)2	H(CP[5]ClH)	H(CP[5]ClH)	107.9420	0.000	1	107.9420	0.000	1	107.8190	0.030	2	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(P[5]N[5,5]N[5]O)(Cl)(H)2	H(CP[5]ClH)	H(CP[5]ClH)	C(P[5]N[5,5]N[5]O)(Cl)(H)2	H(CP[5]ClH)	H(CP[5]ClH)	107.6960	0.000	1	107.6960	0.000	1	107.8190	0.030	2	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,5a]2C[6a])(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]C[5,5a]2C[6a])(H)3	H(CP[5]HH)	H(CP[5]HH)	109.5050	0.016	2	109.5050	0.000	2	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,5a]C[5,6a]C[6a])(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]C[5,5a]C[5,6a]C[6a])(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4610	0.017	3	109.4610	0.000	3	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6]2C[6a])(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]C[5,6]2C[6a])(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4617	0.035	3	109.4617	0.001	3	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6]C[5]S)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]C[5,6]C[5]S)(H)3	H(CP[5]HH)	H(CP[5]HH)	107.7650	2.247	3	107.7650	5.051	3	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6a]2C[6a])(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]C[5,6a]2C[6a])(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4530	0.038	4	109.4530	0.001	4	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6a]2Fe)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]C[5,6a]2Fe)(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4685	0.033	2	109.4685	0.001	2	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6a]B[5]C)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]C[5,6a]B[5]C)(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4926	0.048	16	109.4926	0.002	16	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6a]C[5,5]C[6a])(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]C[5,6a]C[5,5]C[6a])(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4693	0.050	3	109.4693	0.003	3	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6a]C[5,5]O)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]C[5,6a]C[5,5]O)(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4530	0.062	2	109.4530	0.004	2	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6a]C[5]C)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]C[5,6a]C[5]C)(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4589	0.041	8	109.4589	0.002	8	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6a]C[5]Lu)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]C[5,6a]C[5]Lu)(H)3	H(CP[5]HH)	H(CP[5]HH)	109.5243	0.082	3	109.5243	0.007	3	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6a]C[6a]C[5])(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]C[5,6a]C[6a]C[5])(H)3	H(CP[5]HH)	H(CP[5]HH)	110.1913	1.040	6	110.1913	1.081	6	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6a]Ga[5,5]C)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]C[5,6a]Ga[5,5]C)(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4719	0.049	16	109.4719	0.002	16	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6a]Ge[5]C)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]C[5,6a]Ge[5]C)(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4638	0.211	94	109.4638	0.045	94	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6a]In[5]C)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]C[5,6a]In[5]C)(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4635	0.051	10	109.4635	0.003	10	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6a]Nb[5,5]C)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]C[5,6a]Nb[5,5]C)(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4678	0.052	13	109.4678	0.003	13	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6a]Si[5]C)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]C[5,6a]Si[5]C)(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4634	0.045	7	109.4634	0.002	7	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[5]2C)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]C[5]2C)(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4768	0.077	6	109.4768	0.006	6	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[5]2Ni)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]C[5]2Ni)(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4586	0.101	7	109.4586	0.010	7	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[5]2Pd)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]C[5]2Pd)(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4868	0.026	4	109.4868	0.001	4	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[5]2S)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]C[5]2S)(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4855	0.074	2	109.4855	0.006	2	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[5]2W)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]C[5]2W)(H)3	H(CP[5]HH)	H(CP[5]HH)	110.0743	6.073	3	110.0743	36.881	3	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[5]P[5]C)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]C[5]P[5]C)(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4593	0.050	12	109.4593	0.003	12	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[6]P[5]2)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]C[6]P[5]2)(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4687	0.046	3	109.4687	0.002	3	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[6a]C[5]2)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]C[6a]C[5]2)(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4755	0.079	8	109.4755	0.006	8	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]Ge[5]C[5]C)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]Ge[5]C[5]C)(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4865	0.024	8	109.4865	0.001	8	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]N[5]2Fe)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]N[5]2Fe)(H)3	H(CP[5]HH)	H(CP[5]HH)	108.8975	3.406	2	108.8975	11.602	2	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]N[5]2Pd)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]N[5]2Pd)(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4783	0.064	4	109.4783	0.004	4	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]N[5]2Pt)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]N[5]2Pt)(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4592	0.046	5	109.4592	0.002	5	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]Nb[5,5]C[5]C)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]Nb[5,5]C[5]C)(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4755	0.053	21	109.4755	0.003	21	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]Nb[5]C[5]C)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]Nb[5]C[5]C)(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4778	0.047	5	109.4778	0.002	5	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]P[5]2C)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]P[5]2C)(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4682	0.056	24	109.4682	0.003	24	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[5]Si[5]C[5]C)(H)3	H(CP[5]HH)	H(CP[5]HH)	C(P[5]Si[5]C[5]C)(H)3	H(CP[5]HH)	H(CP[5]HH)	109.4650	0.063	13	109.4650	0.004	13	109.4689	0.371	322	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[5]-4:H-1:H-1:O-1:	C-4:	C-4:	C(P[5]C[5]2C)(H)2(O)	H(CP[5]HO)	H(CP[5]HO)	C(P[5]C[5]2C)(H)2(O)	H(CP[5]HO)	H(CP[5]HO)	108.7010	0.000	1	108.7010	0.000	1	108.7010	0.000	1	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[6,6]C[3x6]C[6,6]C)(H)3	H(CP[6,6]HH)	H(CP[6,6]HH)	C(P[6,6]C[3x6]C[6,6]C)(H)3	H(CP[6,6]HH)	H(CP[6,6]HH)	109.4650	0.038	5	109.4650	0.001	5	109.4648	0.009	25	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[6,6]C[3x6]C[6,6]W)(H)3	H(CP[6,6]HH)	H(CP[6,6]HH)	C(P[6,6]C[3x6]C[6,6]W)(H)3	H(CP[6,6]HH)	H(CP[6,6]HH)	109.4907	0.038	3	109.4907	0.001	3	109.4648	0.009	25	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[6,6]Nb[3x6]C[6,6]C)(H)3	H(CP[6,6]HH)	H(CP[6,6]HH)	C(P[6,6]Nb[3x6]C[6,6]C)(H)3	H(CP[6,6]HH)	H(CP[6,6]HH)	109.4601	0.114	17	109.4601	0.013	17	109.4648	0.009	25	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[6]-4:Br-1:H-1:H-1:	C-4:	C-4:	C(P[6]C[6a]N[6]2)(Br)(H)2	H(CP[6]BrH)	H(CP[6]BrH)	C(P[6]C[6a]N[6]2)(Br)(H)2	H(CP[6]BrH)	H(CP[6]BrH)	107.8264	0.257	5	107.8264	0.066	5	107.8264	0.066	5	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(P[6]N[6]O[6]O)(Cl)(H)2	H(CP[6]ClH)	H(CP[6]ClH)	C(P[6]N[6]O[6]O)(Cl)(H)2	H(CP[6]ClH)	H(CP[6]ClH)	108.0080	0.287	6	108.0080	0.083	6	108.0080	0.083	6	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[6]B[6]C[6]C)(H)3	H(CP[6]HH)	H(CP[6]HH)	C(P[6]B[6]C[6]C)(H)3	H(CP[6]HH)	H(CP[6]HH)	109.4814	0.030	7	109.4814	0.001	7	109.4394	1.767	49	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[6]C[6]2Fe)(H)3	H(CP[6]HH)	H(CP[6]HH)	C(P[6]C[6]2Fe)(H)3	H(CP[6]HH)	H(CP[6]HH)	109.4700	0.035	3	109.4700	0.001	3	109.4394	1.767	49	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[6]C[6]2Rh)(H)3	H(CP[6]HH)	H(CP[6]HH)	C(P[6]C[6]2Rh)(H)3	H(CP[6]HH)	H(CP[6]HH)	109.4927	0.072	11	109.4927	0.005	11	109.4394	1.767	49	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[6]C[6]2U)(H)3	H(CP[6]HH)	H(CP[6]HH)	C(P[6]C[6]2U)(H)3	H(CP[6]HH)	H(CP[6]HH)	109.4748	0.059	12	109.4748	0.004	12	109.4394	1.767	49	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[6]C[6]2W)(H)3	H(CP[6]HH)	H(CP[6]HH)	C(P[6]C[6]2W)(H)3	H(CP[6]HH)	H(CP[6]HH)	109.4697	0.037	3	109.4697	0.001	3	109.4394	1.767	49	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[6]C[6a]N[6]2)(H)3	H(CP[6]HH)	H(CP[6]HH)	C(P[6]C[6a]N[6]2)(H)3	H(CP[6]HH)	H(CP[6]HH)	109.4463	0.031	6	109.4463	0.001	6	109.4394	1.767	49	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[6]N[6]S[6]C)(H)3	H(CP[6]HH)	H(CP[6]HH)	C(P[6]N[6]S[6]C)(H)3	H(CP[6]HH)	H(CP[6]HH)	109.4585	0.050	4	109.4585	0.003	4	109.4394	1.767	49	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(P[6]O[6]2O)(H)3	H(CP[6]HH)	H(CP[6]HH)	C(P[6]O[6]2O)(H)3	H(CP[6]HH)	H(CP[6]HH)	108.9047	6.473	3	108.9047	41.900	3	109.4394	1.767	49	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	P[6]-4:H-1:H-1:I-1:	C-4:	C-4:	C(P[6]C[6a]N[6]2)(H)2(I)	H(CP[6]HI)	H(CP[6]HI)	C(P[6]C[6a]N[6]2)(H)2(I)	H(CP[6]HI)	H(CP[6]HI)	107.9167	0.109	3	107.9167	0.012	3	107.9167	0.012	3	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(SC[5,6]OO)(Cl)(H)2	H(CClHS)	H(CClHS)	C(SC[5,6]OO)(Cl)(H)2	H(CClHS)	H(CClHS)	115.0053	4.682	4	115.0053	21.922	4	115.0053	21.922	4	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:F-1:H-1:H-1:	C-4:	C-4:	C(SCOO)(F)(H)2	H(CFHS)	H(CFHS)	C(SCOO)(F)(H)2	H(CFHS)	H(CFHS)	108.0650	0.000	1	108.0650	0.000	1	108.0650	0.000	1	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SC3)(H)3	H(CHHS)	H(CHHS)	C(SC3)(H)3	H(CHHS)	H(CHHS)	108.1686	6.546	35	108.1686	42.847	35	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SCCN)(H)3	H(CHHS)	H(CHHS)	C(SCCN)(H)3	H(CHHS)	H(CHHS)	107.1398	3.242	16	107.1398	10.510	16	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SCCO)(H)3	H(CHHS)	H(CHHS)	C(SCCO)(H)3	H(CHHS)	H(CHHS)	110.4100	2.767	90	110.4100	7.654	90	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SCNO)(H)3	H(CHHS)	H(CHHS)	C(SCNO)(H)3	H(CHHS)	H(CHHS)	109.4689	0.037	16	109.4689	0.001	16	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SCOO)(H)3	H(CHHS)	H(CHHS)	C(SCOO)(H)3	H(CHHS)	H(CHHS)	109.6892	0.938	112	109.6892	0.881	112	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SCOU)(H)3	H(CHHS)	H(CHHS)	C(SCOU)(H)3	H(CHHS)	H(CHHS)	109.4553	0.077	26	109.4553	0.006	26	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SCOY)(H)3	H(CHHS)	H(CHHS)	C(SCOY)(H)3	H(CHHS)	H(CHHS)	109.5196	0.491	177	109.5196	0.241	177	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SC[3]OO)(H)3	H(CHHS)	H(CHHS)	C(SC[3]OO)(H)3	H(CHHS)	H(CHHS)	109.4647	0.017	3	109.4647	0.000	3	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SC[4]OO)(H)3	H(CHHS)	H(CHHS)	C(SC[4]OO)(H)3	H(CHHS)	H(CHHS)	109.4728	0.050	9	109.4728	0.003	9	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SC[5,5]OO)(H)3	H(CHHS)	H(CHHS)	C(SC[5,5]OO)(H)3	H(CHHS)	H(CHHS)	109.4660	0.000	1	109.4660	0.000	1	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SC[5,6]OO)(H)3	H(CHHS)	H(CHHS)	C(SC[5,6]OO)(H)3	H(CHHS)	H(CHHS)	109.4843	0.023	3	109.4843	0.001	3	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SC[5]CC)(H)3	H(CHHS)	H(CHHS)	C(SC[5]CC)(H)3	H(CHHS)	H(CHHS)	108.9442	0.897	11	108.9442	0.805	11	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SC[5]OO)(H)3	H(CHHS)	H(CHHS)	C(SC[5]OO)(H)3	H(CHHS)	H(CHHS)	109.4755	0.038	11	109.4755	0.001	11	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SC[5a]OO)(H)3	H(CHHS)	H(CHHS)	C(SC[5a]OO)(H)3	H(CHHS)	H(CHHS)	109.4731	0.040	19	109.4731	0.002	19	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6,6]OO)(H)3	H(CHHS)	H(CHHS)	C(SC[6,6]OO)(H)3	H(CHHS)	H(CHHS)	109.4803	0.052	3	109.4803	0.003	3	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6]OO)(H)3	H(CHHS)	H(CHHS)	C(SC[6]OO)(H)3	H(CHHS)	H(CHHS)	109.4684	0.037	9	109.4684	0.001	9	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]NN)(H)3	H(CHHS)	H(CHHS)	C(SC[6a]NN)(H)3	H(CHHS)	H(CHHS)	110.8247	0.759	3	110.8247	0.576	3	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]NO)(H)3	H(CHHS)	H(CHHS)	C(SC[6a]NO)(H)3	H(CHHS)	H(CHHS)	109.4241	2.897	34	109.4241	8.390	34	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(H)3	H(CHHS)	H(CHHS)	C(SC[6a]OO)(H)3	H(CHHS)	H(CHHS)	109.6159	1.643	342	109.6159	2.700	342	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]PtO)(H)3	H(CHHS)	H(CHHS)	C(SC[6a]PtO)(H)3	H(CHHS)	H(CHHS)	109.4696	0.044	14	109.4696	0.002	14	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]RhO)(H)3	H(CHHS)	H(CHHS)	C(SC[6a]RhO)(H)3	H(CHHS)	H(CHHS)	109.4607	0.040	13	109.4607	0.002	13	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]RuO)(H)3	H(CHHS)	H(CHHS)	C(SC[6a]RuO)(H)3	H(CHHS)	H(CHHS)	109.4833	0.040	12	109.4833	0.002	12	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SCeCO)(H)3	H(CHHS)	H(CHHS)	C(SCeCO)(H)3	H(CHHS)	H(CHHS)	109.4693	0.055	10	109.4693	0.003	10	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SCoCO)(H)3	H(CHHS)	H(CHHS)	C(SCoCO)(H)3	H(CHHS)	H(CHHS)	109.4842	0.043	6	109.4842	0.002	6	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SDyCO)(H)3	H(CHHS)	H(CHHS)	C(SDyCO)(H)3	H(CHHS)	H(CHHS)	109.3783	0.198	20	109.3783	0.039	20	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SFeCO)(H)3	H(CHHS)	H(CHHS)	C(SFeCO)(H)3	H(CHHS)	H(CHHS)	109.4720	0.024	8	109.4720	0.001	8	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SGdCO)(H)3	H(CHHS)	H(CHHS)	C(SGdCO)(H)3	H(CHHS)	H(CHHS)	109.4696	0.057	16	109.4696	0.003	16	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SHfCO)(H)3	H(CHHS)	H(CHHS)	C(SHfCO)(H)3	H(CHHS)	H(CHHS)	109.4831	0.036	7	109.4831	0.001	7	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SHfNN)(H)3	H(CHHS)	H(CHHS)	C(SHfNN)(H)3	H(CHHS)	H(CHHS)	109.5015	0.006	2	109.5015	0.000	2	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SIr2C)(H)3	H(CHHS)	H(CHHS)	C(SIr2C)(H)3	H(CHHS)	H(CHHS)	109.4960	0.000	1	109.4960	0.000	1	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SIrCO)(H)3	H(CHHS)	H(CHHS)	C(SIrCO)(H)3	H(CHHS)	H(CHHS)	109.4255	1.427	93	109.4255	2.037	93	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SLaCO)(H)3	H(CHHS)	H(CHHS)	C(SLaCO)(H)3	H(CHHS)	H(CHHS)	109.5023	0.222	43	109.5023	0.049	43	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SLiNN)(H)3	H(CHHS)	H(CHHS)	C(SLiNN)(H)3	H(CHHS)	H(CHHS)	109.4730	0.000	1	109.4730	0.000	1	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SMn2C)(H)3	H(CHHS)	H(CHHS)	C(SMn2C)(H)3	H(CHHS)	H(CHHS)	109.4693	0.033	3	109.4693	0.001	3	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SNOO)(H)3	H(CHHS)	H(CHHS)	C(SNOO)(H)3	H(CHHS)	H(CHHS)	109.6217	1.155	483	109.6217	1.335	483	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SN[3]OO)(H)3	H(CHHS)	H(CHHS)	C(SN[3]OO)(H)3	H(CHHS)	H(CHHS)	107.6230	2.846	3	107.6230	8.102	3	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SN[4]OO)(H)3	H(CHHS)	H(CHHS)	C(SN[4]OO)(H)3	H(CHHS)	H(CHHS)	111.5185	9.373	2	111.5185	87.848	2	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SN[5]OO)(H)3	H(CHHS)	H(CHHS)	C(SN[5]OO)(H)3	H(CHHS)	H(CHHS)	109.5244	0.398	136	109.5244	0.158	136	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SN[5a]OO)(H)3	H(CHHS)	H(CHHS)	C(SN[5a]OO)(H)3	H(CHHS)	H(CHHS)	109.5524	0.549	68	109.5524	0.302	68	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SN[6,6]CC)(H)3	H(CHHS)	H(CHHS)	C(SN[6,6]CC)(H)3	H(CHHS)	H(CHHS)	109.4972	0.066	6	109.4972	0.004	6	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SN[6]OO)(H)3	H(CHHS)	H(CHHS)	C(SN[6]OO)(H)3	H(CHHS)	H(CHHS)	109.6129	0.997	34	109.6129	0.994	34	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SO3)(H)3	H(CHHS)	H(CHHS)	C(SO3)(H)3	H(CHHS)	H(CHHS)	109.6712	2.011	555	109.6712	4.042	555	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SOOS)(H)3	H(CHHS)	H(CHHS)	C(SOOS)(H)3	H(CHHS)	H(CHHS)	109.4757	0.033	6	109.4757	0.001	6	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SOsCO)(H)3	H(CHHS)	H(CHHS)	C(SOsCO)(H)3	H(CHHS)	H(CHHS)	109.4683	0.060	23	109.4683	0.004	23	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SPdCO)(H)3	H(CHHS)	H(CHHS)	C(SPdCO)(H)3	H(CHHS)	H(CHHS)	109.4709	0.049	69	109.4709	0.002	69	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SPrCO)(H)3	H(CHHS)	H(CHHS)	C(SPrCO)(H)3	H(CHHS)	H(CHHS)	109.4528	0.084	27	109.4528	0.007	27	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SPt2C)(H)3	H(CHHS)	H(CHHS)	C(SPt2C)(H)3	H(CHHS)	H(CHHS)	109.4606	0.068	9	109.4606	0.005	9	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SPtCO)(H)3	H(CHHS)	H(CHHS)	C(SPtCO)(H)3	H(CHHS)	H(CHHS)	109.5101	0.530	796	109.5101	0.281	796	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SPtOO)(H)3	H(CHHS)	H(CHHS)	C(SPtOO)(H)3	H(CHHS)	H(CHHS)	109.5715	0.057	2	109.5715	0.003	2	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SRhCO)(H)3	H(CHHS)	H(CHHS)	C(SRhCO)(H)3	H(CHHS)	H(CHHS)	109.0864	0.787	77	109.0864	0.619	77	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SRuCO)(H)3	H(CHHS)	H(CHHS)	C(SRuCO)(H)3	H(CHHS)	H(CHHS)	109.4883	0.905	628	109.4883	0.819	628	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SSmCO)(H)3	H(CHHS)	H(CHHS)	C(SSmCO)(H)3	H(CHHS)	H(CHHS)	109.4585	0.060	6	109.4585	0.004	6	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(STbCO)(H)3	H(CHHS)	H(CHHS)	C(STbCO)(H)3	H(CHHS)	H(CHHS)	109.4010	0.274	61	109.4010	0.075	61	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SZrCO)(H)3	H(CHHS)	H(CHHS)	C(SZrCO)(H)3	H(CHHS)	H(CHHS)	109.5404	4.337	35	109.5404	18.809	35	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	C-4:	C-4:	C(SZrNN)(H)3	H(CHHS)	H(CHHS)	C(SZrNN)(H)3	H(CHHS)	H(CHHS)	109.4747	0.058	3	109.4747	0.003	3	109.5392	2.053	4198	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(S[3]Nb[3x3]2C)(H)3	H(CS[3]HH)	H(CS[3]HH)	C(S[3]Nb[3x3]2C)(H)3	H(CS[3]HH)	H(CS[3]HH)	109.4750	0.014	3	109.4750	0.000	3	109.4750	0.000	3	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(S[5]C[5,6a]N[5]O)(H)3	H(CS[5]HH)	H(CS[5]HH)	C(S[5]C[5,6a]N[5]O)(H)3	H(CS[5]HH)	H(CS[5]HH)	109.4740	0.030	2	109.4740	0.001	2	109.4740	0.001	2	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(S[6]C[6,6a]N[6]O)(H)3	H(CS[6]HH)	H(CS[6]HH)	C(S[6]C[6,6a]N[6]O)(H)3	H(CS[6]HH)	H(CS[6]HH)	110.2308	3.077	6	110.2308	9.469	6	109.9708	6.071	9	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	S[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(S[6]C[6]N[6]O)(H)3	H(CS[6]HH)	H(CS[6]HH)	C(S[6]C[6]N[6]O)(H)3	H(CS[6]HH)	H(CS[6]HH)	109.4507	0.025	3	109.4507	0.001	3	109.9708	6.071	9	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Se-4:H-1:H-1:H-1:	C-4:	C-4:	C(SeCOO)(H)3	H(CSeHH)	H(CSeHH)	C(SeCOO)(H)3	H(CSeHH)	H(CSeHH)	112.7587	4.022	3	112.7587	16.174	3	112.7587	16.174	3	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:Br-1:H-1:H-1:	C-4:	C-4:	C(SiSi2C)(Br)(H)2	H(CBrSiH)	H(CBrSiH)	C(SiSi2C)(Br)(H)2	H(CBrSiH)	H(CBrSiH)	107.3620	0.000	1	107.3620	0.000	1	107.3620	0.000	1	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:C-1:H-1:H-1:	C-4:	C-4:	C(SiC[5a]CC)(C)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[5a]CC)(C)(H)2	H(CSiCH)	H(CSiCH)	109.4420	0.000	1	109.4420	0.000	1	109.4420	0.000	1	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(SiCCO)(Cl)(H)2	H(CClSiH)	H(CClSiH)	C(SiCCO)(Cl)(H)2	H(CClSiH)	H(CClSiH)	108.1470	0.000	1	108.1470	0.000	1	108.1373	0.001	3	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2C)(Cl)(H)2	H(CClSiH)	H(CClSiH)	C(SiC[6a]2C)(Cl)(H)2	H(CClSiH)	H(CClSiH)	108.1325	0.032	2	108.1325	0.001	2	108.1373	0.001	3	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiAlCC)(H)3	H(CSiHH)	H(CSiHH)	C(SiAlCC)(H)3	H(CSiHH)	H(CSiHH)	109.4856	0.049	9	109.4856	0.002	9	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiAsCC)(H)3	H(CSiHH)	H(CSiHH)	C(SiAsCC)(H)3	H(CSiHH)	H(CSiHH)	109.4764	0.048	15	109.4764	0.002	15	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiBiCC)(H)3	H(CSiHH)	H(CSiHH)	C(SiBiCC)(H)3	H(CSiHH)	H(CSiHH)	109.4901	0.055	28	109.4901	0.003	28	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiBrCC)(H)3	H(CSiHH)	H(CSiHH)	C(SiBrCC)(H)3	H(CSiHH)	H(CSiHH)	109.4887	0.158	9	109.4887	0.025	9	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC3)(H)3	H(CSiHH)	H(CSiHH)	C(SiC3)(H)3	H(CSiHH)	H(CSiHH)	109.3679	1.295	10746	109.3679	1.678	10746	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiCCF)(H)3	H(CSiHH)	H(CSiHH)	C(SiCCF)(H)3	H(CSiHH)	H(CSiHH)	109.4789	0.051	39	109.4789	0.003	39	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiCCH)(H)3	H(CSiHH)	H(CSiHH)	C(SiCCH)(H)3	H(CSiHH)	H(CSiHH)	108.9614	1.765	22	108.9614	3.116	22	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiCCN)(H)3	H(CSiHH)	H(CSiHH)	109.3990	1.059	5448	109.3990	1.121	5448	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiCCO)(H)3	H(CSiHH)	H(CSiHH)	C(SiCCO)(H)3	H(CSiHH)	H(CSiHH)	109.3256	1.161	3732	109.3256	1.347	3732	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiCCP)(H)3	H(CSiHH)	H(CSiHH)	C(SiCCP)(H)3	H(CSiHH)	H(CSiHH)	109.3213	0.774	219	109.3213	0.599	219	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiCCS)(H)3	H(CSiHH)	H(CSiHH)	C(SiCCS)(H)3	H(CSiHH)	H(CSiHH)	109.4413	1.172	104	109.4413	1.374	104	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiCCW)(H)3	H(CSiHH)	H(CSiHH)	C(SiCCW)(H)3	H(CSiHH)	H(CSiHH)	107.4143	9.633	12	107.4143	92.800	12	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiCFF)(H)3	H(CSiHH)	H(CSiHH)	C(SiCFF)(H)3	H(CSiHH)	H(CSiHH)	109.4870	0.072	9	109.4870	0.005	9	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiCHN)(H)3	H(CSiHH)	H(CSiHH)	C(SiCHN)(H)3	H(CSiHH)	H(CSiHH)	109.1562	0.752	36	109.1562	0.566	36	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiCHO)(H)3	H(CSiHH)	H(CSiHH)	C(SiCHO)(H)3	H(CSiHH)	H(CSiHH)	109.4686	0.049	19	109.4686	0.002	19	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiCNN)(H)3	H(CSiHH)	H(CSiHH)	C(SiCNN)(H)3	H(CSiHH)	H(CSiHH)	109.4698	0.054	40	109.4698	0.003	40	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiCNO)(H)3	H(CSiHH)	H(CSiHH)	C(SiCNO)(H)3	H(CSiHH)	H(CSiHH)	109.5166	0.843	68	109.5166	0.711	68	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiCNW)(H)3	H(CSiHH)	H(CSiHH)	C(SiCNW)(H)3	H(CSiHH)	H(CSiHH)	109.4675	0.050	8	109.4675	0.002	8	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiCOO)(H)3	H(CSiHH)	H(CSiHH)	C(SiCOO)(H)3	H(CSiHH)	H(CSiHH)	109.4410	0.296	210	109.4410	0.088	210	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiCOP)(H)3	H(CSiHH)	H(CSiHH)	C(SiCOP)(H)3	H(CSiHH)	H(CSiHH)	109.5056	0.030	5	109.5056	0.001	5	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiCOW)(H)3	H(CSiHH)	H(CSiHH)	C(SiCOW)(H)3	H(CSiHH)	H(CSiHH)	109.4777	0.056	6	109.4777	0.003	6	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiCPP)(H)3	H(CSiHH)	H(CSiHH)	C(SiCPP)(H)3	H(CSiHH)	H(CSiHH)	109.4855	0.057	4	109.4855	0.003	4	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[3,3,5,5x6]ClC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[3,3,5,5x6]ClC)(H)3	H(CSiHH)	H(CSiHH)	109.4788	0.061	5	109.4788	0.004	5	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[3,3,5]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[3,3,5]CC)(H)3	H(CSiHH)	H(CSiHH)	109.3542	1.457	95	109.3542	2.122	95	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[3,3,5]CO)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[3,3,5]CO)(H)3	H(CSiHH)	H(CSiHH)	109.4655	0.032	2	109.4655	0.001	2	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[3,5,6,6]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[3,5,6,6]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4870	0.000	1	109.4870	0.000	1	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[3,5,6]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[3,5,6]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4774	0.040	8	109.4774	0.002	8	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[3,5]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[3,5]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4757	0.051	13	109.4757	0.003	13	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[3,6,6]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[3,6,6]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4703	0.037	16	109.4703	0.001	16	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[3]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[3]CC)(H)3	H(CSiHH)	H(CSiHH)	109.0042	1.295	117	109.0042	1.677	117	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[3a]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[3a]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4663	0.050	21	109.4663	0.002	21	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[3x3,4,3x5,14x6]2C)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[3x3,4,3x5,14x6]2C)(H)3	H(CSiHH)	H(CSiHH)	109.3582	6.211	6	109.3582	38.573	6	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[3x3,4,3x5,14x6]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[3x3,4,3x5,14x6]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4822	0.814	63	109.4822	0.663	63	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[3x3,4,3x5,14x6]C[5]C)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[3x3,4,3x5,14x6]C[5]C)(H)3	H(CSiHH)	H(CSiHH)	109.4672	0.112	5	109.4672	0.013	5	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[3x3,4,3x5,14x6]PtC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[3x3,4,3x5,14x6]PtC)(H)3	H(CSiHH)	H(CSiHH)	109.4670	0.072	6	109.4670	0.005	6	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[3x3]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[3x3]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4695	0.066	100	109.4695	0.004	100	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[3x6]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[3x6]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4632	0.051	9	109.4632	0.003	9	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[4,4]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[4,4]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4616	0.059	16	109.4616	0.003	16	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[4,5]C[6a]C)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[4,5]C[6a]C)(H)3	H(CSiHH)	H(CSiHH)	109.4837	0.013	3	109.4837	0.000	3	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[4]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[4]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4625	1.286	188	109.4625	1.655	188	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[4]C[6]C)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[4]C[6]C)(H)3	H(CSiHH)	H(CSiHH)	109.4601	0.033	7	109.4601	0.001	7	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[4]OO)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[4]OO)(H)3	H(CSiHH)	H(CSiHH)	109.4953	0.015	3	109.4953	0.000	3	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5,5,6,6]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5,5,6,6]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4774	0.047	5	109.4774	0.002	5	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5,5,6]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5,5,6]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4682	0.046	53	109.4682	0.002	53	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5,5]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5,5]CC)(H)3	H(CSiHH)	H(CSiHH)	109.2085	1.739	38	109.2085	3.025	38	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5,5]C[6a]C)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5,5]C[6a]C)(H)3	H(CSiHH)	H(CSiHH)	109.4747	0.065	11	109.4747	0.004	11	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5,6]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5,6]CC)(H)3	H(CSiHH)	H(CSiHH)	108.7739	3.157	134	108.7739	9.967	134	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5,6]CO)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5,6]CO)(H)3	H(CSiHH)	H(CSiHH)	109.4468	0.039	4	109.4468	0.001	4	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5,6]C[6a]C)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5,6]C[6a]C)(H)3	H(CSiHH)	H(CSiHH)	109.4770	0.035	5	109.4770	0.001	5	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]2C)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]2C)(H)3	H(CSiHH)	H(CSiHH)	109.4363	0.352	130	109.4363	0.124	130	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]2H)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]2H)(H)3	H(CSiHH)	H(CSiHH)	109.4503	0.068	3	109.4503	0.005	3	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]2In)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]2In)(H)3	H(CSiHH)	H(CSiHH)	109.5113	0.034	3	109.5113	0.001	3	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]3)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]3)(H)3	H(CSiHH)	H(CSiHH)	108.6430	0.888	4	108.6430	0.788	4	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]CC)(H)3	H(CSiHH)	H(CSiHH)	109.1858	1.753	4096	109.1858	3.073	4096	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]CF)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]CF)(H)3	H(CSiHH)	H(CSiHH)	109.4728	0.056	24	109.4728	0.003	24	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]CH)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]CH)(H)3	H(CSiHH)	H(CSiHH)	109.4799	0.045	9	109.4799	0.002	9	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]CN)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]CN)(H)3	H(CSiHH)	H(CSiHH)	109.3492	2.008	59	109.3492	4.031	59	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]CO)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]CO)(H)3	H(CSiHH)	H(CSiHH)	109.5330	0.316	80	109.5330	0.100	80	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]CW)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]CW)(H)3	H(CSiHH)	H(CSiHH)	109.4368	0.068	5	109.4368	0.005	5	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]C[6]C)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]C[6]C)(H)3	H(CSiHH)	H(CSiHH)	109.4682	0.065	9	109.4682	0.004	9	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]ClC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]ClC)(H)3	H(CSiHH)	H(CSiHH)	109.4703	0.072	15	109.4703	0.005	15	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]ClSi)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]ClSi)(H)3	H(CSiHH)	H(CSiHH)	109.4880	0.041	3	109.4880	0.002	3	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]FeC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]FeC)(H)3	H(CSiHH)	H(CSiHH)	109.4673	0.034	8	109.4673	0.001	8	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]MoC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]MoC)(H)3	H(CSiHH)	H(CSiHH)	109.4883	0.036	12	109.4883	0.001	12	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]NiC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]NiC)(H)3	H(CSiHH)	H(CSiHH)	109.4680	0.029	8	109.4680	0.001	8	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]OO)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]OO)(H)3	H(CSiHH)	H(CSiHH)	109.4753	0.026	3	109.4753	0.001	3	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]Si2)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]Si2)(H)3	H(CSiHH)	H(CSiHH)	109.5090	0.025	2	109.5090	0.001	2	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]SiC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]SiC)(H)3	H(CSiHH)	H(CSiHH)	109.3754	0.593	115	109.3754	0.352	115	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5a]2C)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5a]2C)(H)3	H(CSiHH)	H(CSiHH)	109.0851	0.502	22	109.0851	0.252	22	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5a]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5a]CC)(H)3	H(CSiHH)	H(CSiHH)	109.3814	1.543	922	109.3814	2.381	922	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5a]CO)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5a]CO)(H)3	H(CSiHH)	H(CSiHH)	109.4610	0.030	4	109.4610	0.001	4	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5a]C[5]C)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5a]C[5]C)(H)3	H(CSiHH)	H(CSiHH)	109.4565	0.121	2	109.4565	0.015	2	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5a]C[6a]2)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5a]C[6a]2)(H)3	H(CSiHH)	H(CSiHH)	109.4523	0.027	3	109.4523	0.001	3	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5a]SiC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5a]SiC)(H)3	H(CSiHH)	H(CSiHH)	109.4669	0.044	49	109.4669	0.002	49	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5x3,5x5,20x6]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5x3,5x5,20x6]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4734	0.049	18	109.4734	0.002	18	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5x3,5x5,20x6]PdC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5x3,5x5,20x6]PdC)(H)3	H(CSiHH)	H(CSiHH)	109.4295	0.039	8	109.4295	0.002	8	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5x3,5x5,20x6]PtC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5x3,5x5,20x6]PtC)(H)3	H(CSiHH)	H(CSiHH)	109.4639	0.066	27	109.4639	0.004	27	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6,6]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6,6]CC)(H)3	H(CSiHH)	H(CSiHH)	109.3304	1.430	78	109.3304	2.046	78	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6]2C)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6]2C)(H)3	H(CSiHH)	H(CSiHH)	109.4797	0.055	59	109.4797	0.003	59	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6]3)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6]3)(H)3	H(CSiHH)	H(CSiHH)	109.4660	0.042	10	109.4660	0.002	10	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6]CC)(H)3	H(CSiHH)	H(CSiHH)	109.2303	1.360	884	109.2303	1.849	884	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6]CO)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6]CO)(H)3	H(CSiHH)	H(CSiHH)	109.4689	0.037	8	109.4689	0.001	8	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6]Cl2)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6]Cl2)(H)3	H(CSiHH)	H(CSiHH)	109.4880	0.058	3	109.4880	0.003	3	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6]RuC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6]RuC)(H)3	H(CSiHH)	H(CSiHH)	109.4764	0.037	5	109.4764	0.001	5	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6]SiC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6]SiC)(H)3	H(CSiHH)	H(CSiHH)	109.4727	0.042	13	109.4727	0.002	13	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2B[5])(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]2B[5])(H)3	H(CSiHH)	H(CSiHH)	109.4710	0.098	3	109.4710	0.010	3	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2Br)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]2Br)(H)3	H(CSiHH)	H(CSiHH)	109.5070	0.033	3	109.5070	0.001	3	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2C)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]2C)(H)3	H(CSiHH)	H(CSiHH)	109.2223	1.231	250	109.2223	1.515	250	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2C[5])(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]2C[5])(H)3	H(CSiHH)	H(CSiHH)	109.2619	1.707	9	109.2619	2.915	9	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2Co)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]2Co)(H)3	H(CSiHH)	H(CSiHH)	108.8603	2.230	13	108.8603	4.971	13	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2F)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]2F)(H)3	H(CSiHH)	H(CSiHH)	108.5027	8.729	9	108.5027	76.189	9	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2Fe)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]2Fe)(H)3	H(CSiHH)	H(CSiHH)	109.5058	0.027	5	109.5058	0.001	5	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2H)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]2H)(H)3	H(CSiHH)	H(CSiHH)	108.3956	2.090	9	108.3956	4.367	9	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2Ir)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]2Ir)(H)3	H(CSiHH)	H(CSiHH)	109.4402	0.061	19	109.4402	0.004	19	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2Li)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]2Li)(H)3	H(CSiHH)	H(CSiHH)	109.3880	0.074	2	109.3880	0.005	2	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2N)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]2N)(H)3	H(CSiHH)	H(CSiHH)	109.4728	0.052	13	109.4728	0.003	13	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2Ni)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]2Ni)(H)3	H(CSiHH)	H(CSiHH)	109.4833	0.045	25	109.4833	0.002	25	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2O)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]2O)(H)3	H(CSiHH)	H(CSiHH)	109.5035	0.009	2	109.5035	0.000	2	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2Pd)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]2Pd)(H)3	H(CSiHH)	H(CSiHH)	109.4786	0.057	20	109.4786	0.003	20	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2Pt)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]2Pt)(H)3	H(CSiHH)	H(CSiHH)	109.3005	0.401	23	109.3005	0.161	23	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2Rh)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]2Rh)(H)3	H(CSiHH)	H(CSiHH)	109.5380	0.177	15	109.5380	0.031	15	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2Ru)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]2Ru)(H)3	H(CSiHH)	H(CSiHH)	109.4689	0.035	23	109.4689	0.001	23	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2Si)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]2Si)(H)3	H(CSiHH)	H(CSiHH)	109.4922	0.051	5	109.4922	0.003	5	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]3)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]3)(H)3	H(CSiHH)	H(CSiHH)	109.4662	0.059	37	109.4662	0.004	37	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]BC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]BC)(H)3	H(CSiHH)	H(CSiHH)	109.4593	0.031	9	109.4593	0.001	9	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]B[5]C)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]B[5]C)(H)3	H(CSiHH)	H(CSiHH)	109.4610	0.043	4	109.4610	0.002	4	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]CC)(H)3	H(CSiHH)	H(CSiHH)	109.3969	1.041	1650	109.3969	1.085	1650	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CF)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]CF)(H)3	H(CSiHH)	H(CSiHH)	109.4758	0.054	47	109.4758	0.003	47	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CH)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]CH)(H)3	H(CSiHH)	H(CSiHH)	109.4691	0.049	42	109.4691	0.002	42	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CN)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]CN)(H)3	H(CSiHH)	H(CSiHH)	109.4750	0.044	32	109.4750	0.002	32	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CO)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]CO)(H)3	H(CSiHH)	H(CSiHH)	109.4617	0.106	122	109.4617	0.011	122	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CP)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]CP)(H)3	H(CSiHH)	H(CSiHH)	109.4626	0.042	9	109.4626	0.002	9	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CW)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]CW)(H)3	H(CSiHH)	H(CSiHH)	109.4851	0.065	14	109.4851	0.004	14	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]C[4]C)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]C[4]C)(H)3	H(CSiHH)	H(CSiHH)	109.4744	0.037	11	109.4744	0.001	11	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]C[5]2)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]C[5]2)(H)3	H(CSiHH)	H(CSiHH)	109.4643	0.034	6	109.4643	0.001	6	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]C[5]C)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]C[5]C)(H)3	H(CSiHH)	H(CSiHH)	108.9499	2.090	135	108.9499	4.369	135	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]C[5]O)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]C[5]O)(H)3	H(CSiHH)	H(CSiHH)	109.4643	0.010	3	109.4643	0.000	3	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]C[6]2)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]C[6]2)(H)3	H(CSiHH)	H(CSiHH)	109.4572	0.044	5	109.4572	0.002	5	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]C[6]C)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]C[6]C)(H)3	H(CSiHH)	H(CSiHH)	109.1910	3.306	57	109.1910	10.933	57	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]ClC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]ClC)(H)3	H(CSiHH)	H(CSiHH)	109.4786	0.043	9	109.4786	0.002	9	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]FeC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]FeC)(H)3	H(CSiHH)	H(CSiHH)	109.4767	0.065	111	109.4767	0.004	111	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]GeC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]GeC)(H)3	H(CSiHH)	H(CSiHH)	109.4765	0.061	14	109.4765	0.004	14	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]IrC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]IrC)(H)3	H(CSiHH)	H(CSiHH)	109.4689	0.092	15	109.4689	0.008	15	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]LiC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]LiC)(H)3	H(CSiHH)	H(CSiHH)	109.4604	0.050	5	109.4604	0.002	5	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]MoC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]MoC)(H)3	H(CSiHH)	H(CSiHH)	109.4743	0.047	10	109.4743	0.002	10	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]N[4]C)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]N[4]C)(H)3	H(CSiHH)	H(CSiHH)	109.4514	0.074	5	109.4514	0.005	5	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]OO)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]OO)(H)3	H(CSiHH)	H(CSiHH)	109.4847	0.046	14	109.4847	0.002	14	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]OsC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]OsC)(H)3	H(CSiHH)	H(CSiHH)	109.5098	0.039	6	109.5098	0.002	6	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]PdC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]PdC)(H)3	H(CSiHH)	H(CSiHH)	109.4809	0.106	24	109.4809	0.011	24	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]Pt2)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]Pt2)(H)3	H(CSiHH)	H(CSiHH)	109.4607	0.065	3	109.4607	0.004	3	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]PtC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]PtC)(H)3	H(CSiHH)	H(CSiHH)	109.4632	0.115	74	109.4632	0.013	74	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]RhC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]RhC)(H)3	H(CSiHH)	H(CSiHH)	109.4817	0.060	22	109.4817	0.004	22	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]RuC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]RuC)(H)3	H(CSiHH)	H(CSiHH)	109.4643	0.055	105	109.4643	0.003	105	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]RuH)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]RuH)(H)3	H(CSiHH)	H(CSiHH)	109.5000	0.074	3	109.5000	0.005	3	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]SiC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]SiC)(H)3	H(CSiHH)	H(CSiHH)	109.3822	0.969	122	109.3822	0.939	122	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiCl2C)(H)3	H(CSiHH)	H(CSiHH)	C(SiCl2C)(H)3	H(CSiHH)	H(CSiHH)	109.7424	0.464	5	109.7424	0.215	5	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiCl2Fe)(H)3	H(CSiHH)	H(CSiHH)	C(SiCl2Fe)(H)3	H(CSiHH)	H(CSiHH)	109.1560	4.315	3	109.1560	18.618	3	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiCl2H)(H)3	H(CSiHH)	H(CSiHH)	C(SiCl2H)(H)3	H(CSiHH)	H(CSiHH)	109.5487	3.706	3	109.5487	13.735	3	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiCl2Ru)(H)3	H(CSiHH)	H(CSiHH)	C(SiCl2Ru)(H)3	H(CSiHH)	H(CSiHH)	109.4774	0.059	9	109.4774	0.003	9	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiCl3)(H)3	H(CSiHH)	H(CSiHH)	C(SiCl3)(H)3	H(CSiHH)	H(CSiHH)	109.4615	0.021	4	109.4615	0.000	4	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiClCC)(H)3	H(CSiHH)	H(CSiHH)	C(SiClCC)(H)3	H(CSiHH)	H(CSiHH)	108.9283	1.683	18	108.9283	2.833	18	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiClCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiClCN)(H)3	H(CSiHH)	H(CSiHH)	109.4852	0.026	5	109.4852	0.001	5	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiClCO)(H)3	H(CSiHH)	H(CSiHH)	C(SiClCO)(H)3	H(CSiHH)	H(CSiHH)	109.4546	0.068	5	109.4546	0.005	5	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiClIrC)(H)3	H(CSiHH)	H(CSiHH)	C(SiClIrC)(H)3	H(CSiHH)	H(CSiHH)	109.4772	0.041	5	109.4772	0.002	5	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiClOO)(H)3	H(CSiHH)	H(CSiHH)	C(SiClOO)(H)3	H(CSiHH)	H(CSiHH)	109.4789	0.036	9	109.4789	0.001	9	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiClRuC)(H)3	H(CSiHH)	H(CSiHH)	C(SiClRuC)(H)3	H(CSiHH)	H(CSiHH)	109.4885	0.057	16	109.4885	0.003	16	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiCo2C)(H)3	H(CSiHH)	H(CSiHH)	C(SiCo2C)(H)3	H(CSiHH)	H(CSiHH)	109.4751	0.040	16	109.4751	0.002	16	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiFeCC)(H)3	H(CSiHH)	H(CSiHH)	C(SiFeCC)(H)3	H(CSiHH)	H(CSiHH)	109.4744	0.061	27	109.4744	0.004	27	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiFeCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiFeCN)(H)3	H(CSiHH)	H(CSiHH)	108.9977	4.437	24	108.9977	19.690	24	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiFeCO)(H)3	H(CSiHH)	H(CSiHH)	C(SiFeCO)(H)3	H(CSiHH)	H(CSiHH)	108.7768	2.589	25	108.7768	6.702	25	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiFeCP)(H)3	H(CSiHH)	H(CSiHH)	C(SiFeCP)(H)3	H(CSiHH)	H(CSiHH)	109.5653	4.588	9	109.5653	21.046	9	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiFeSiC)(H)3	H(CSiHH)	H(CSiHH)	C(SiFeSiC)(H)3	H(CSiHH)	H(CSiHH)	109.4443	0.032	7	109.4443	0.001	7	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiGeCC)(H)3	H(CSiHH)	H(CSiHH)	C(SiGeCC)(H)3	H(CSiHH)	H(CSiHH)	109.4132	0.613	219	109.4132	0.376	219	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiGeSiC)(H)3	H(CSiHH)	H(CSiHH)	C(SiGeSiC)(H)3	H(CSiHH)	H(CSiHH)	109.4734	0.081	25	109.4734	0.007	25	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiGe[3,3,4]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiGe[3,3,4]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4762	0.077	5	109.4762	0.006	5	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiGe[3,4,4]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiGe[3,4,4]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4255	0.036	2	109.4255	0.001	2	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiGe[4,5]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiGe[4,5]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4749	0.074	21	109.4749	0.005	21	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiGe[4]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiGe[4]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4664	0.088	48	109.4664	0.008	48	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiGe[5]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiGe[5]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4737	0.072	38	109.4737	0.005	38	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiGe[6]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiGe[6]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4627	0.063	31	109.4627	0.004	31	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiHOO)(H)3	H(CSiHH)	H(CSiHH)	C(SiHOO)(H)3	H(CSiHH)	H(CSiHH)	105.9563	3.512	3	105.9563	12.334	3	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiHgCC)(H)3	H(CSiHH)	H(CSiHH)	C(SiHgCC)(H)3	H(CSiHH)	H(CSiHH)	109.4813	0.069	7	109.4813	0.005	7	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiIrCC)(H)3	H(CSiHH)	H(CSiHH)	C(SiIrCC)(H)3	H(CSiHH)	H(CSiHH)	109.2947	1.193	64	109.2947	1.422	64	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiIrCF)(H)3	H(CSiHH)	H(CSiHH)	C(SiIrCF)(H)3	H(CSiHH)	H(CSiHH)	109.4870	0.024	3	109.4870	0.001	3	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiIrCO)(H)3	H(CSiHH)	H(CSiHH)	C(SiIrCO)(H)3	H(CSiHH)	H(CSiHH)	109.4937	0.056	17	109.4937	0.003	17	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiIrOO)(H)3	H(CSiHH)	H(CSiHH)	C(SiIrOO)(H)3	H(CSiHH)	H(CSiHH)	109.4550	0.022	5	109.4550	0.000	5	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiMgSi2)(H)3	H(CSiHH)	H(CSiHH)	C(SiMgSi2)(H)3	H(CSiHH)	H(CSiHH)	109.4080	0.059	2	109.4080	0.004	2	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiMoCC)(H)3	H(CSiHH)	H(CSiHH)	C(SiMoCC)(H)3	H(CSiHH)	H(CSiHH)	109.4838	0.069	6	109.4838	0.005	6	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiMoCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiMoCN)(H)3	H(CSiHH)	H(CSiHH)	108.2018	3.126	9	108.2018	9.773	9	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiMoCO)(H)3	H(CSiHH)	H(CSiHH)	C(SiMoCO)(H)3	H(CSiHH)	H(CSiHH)	109.4533	0.045	9	109.4533	0.002	9	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiNOO)(H)3	H(CSiHH)	H(CSiHH)	C(SiNOO)(H)3	H(CSiHH)	H(CSiHH)	109.4400	0.024	2	109.4400	0.001	2	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiN[3]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiN[3]CC)(H)3	H(CSiHH)	H(CSiHH)	109.3526	0.588	84	109.3526	0.346	84	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiN[4,6]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiN[4,6]CC)(H)3	H(CSiHH)	H(CSiHH)	110.2006	7.878	24	110.2006	62.058	24	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiN[4]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiN[4]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4740	0.052	167	109.4740	0.003	167	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiN[4]ClC)(H)3	H(CSiHH)	H(CSiHH)	C(SiN[4]ClC)(H)3	H(CSiHH)	H(CSiHH)	109.4716	0.043	8	109.4716	0.002	8	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiN[5]2C)(H)3	H(CSiHH)	H(CSiHH)	C(SiN[5]2C)(H)3	H(CSiHH)	H(CSiHH)	109.4599	0.055	13	109.4599	0.003	13	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiN[5]2H)(H)3	H(CSiHH)	H(CSiHH)	C(SiN[5]2H)(H)3	H(CSiHH)	H(CSiHH)	109.4637	0.037	3	109.4637	0.001	3	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiN[5]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiN[5]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4087	0.628	143	109.4087	0.394	143	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiN[5a]2C)(H)3	H(CSiHH)	H(CSiHH)	C(SiN[5a]2C)(H)3	H(CSiHH)	H(CSiHH)	109.4648	0.039	23	109.4648	0.002	23	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiN[5a]3)(H)3	H(CSiHH)	H(CSiHH)	C(SiN[5a]3)(H)3	H(CSiHH)	H(CSiHH)	109.4740	0.038	7	109.4740	0.001	7	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiN[5a]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiN[5a]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4771	0.091	55	109.4771	0.008	55	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiN[5a]C[5]C)(H)3	H(CSiHH)	H(CSiHH)	C(SiN[5a]C[5]C)(H)3	H(CSiHH)	H(CSiHH)	109.5013	0.048	3	109.5013	0.002	3	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiN[5a]RuC)(H)3	H(CSiHH)	H(CSiHH)	C(SiN[5a]RuC)(H)3	H(CSiHH)	H(CSiHH)	109.4609	0.038	20	109.4609	0.001	20	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiN[6,6]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiN[6,6]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4621	0.083	19	109.4621	0.007	19	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiN[6]2C)(H)3	H(CSiHH)	H(CSiHH)	C(SiN[6]2C)(H)3	H(CSiHH)	H(CSiHH)	109.4838	0.079	6	109.4838	0.006	6	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiN[6]BrH)(H)3	H(CSiHH)	H(CSiHH)	C(SiN[6]BrH)(H)3	H(CSiHH)	H(CSiHH)	109.4813	0.040	3	109.4813	0.002	3	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiN[6]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiN[6]CC)(H)3	H(CSiHH)	H(CSiHH)	109.3274	0.958	174	109.3274	0.917	174	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiN[6]CN)(H)3	H(CSiHH)	H(CSiHH)	C(SiN[6]CN)(H)3	H(CSiHH)	H(CSiHH)	109.3620	0.248	18	109.3620	0.062	18	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiN[6]CW)(H)3	H(CSiHH)	H(CSiHH)	C(SiN[6]CW)(H)3	H(CSiHH)	H(CSiHH)	109.5258	0.190	10	109.5258	0.036	10	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiN[6]FeC)(H)3	H(CSiHH)	H(CSiHH)	C(SiN[6]FeC)(H)3	H(CSiHH)	H(CSiHH)	107.8535	0.405	6	107.8535	0.164	6	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiN[6]RuC)(H)3	H(CSiHH)	H(CSiHH)	C(SiN[6]RuC)(H)3	H(CSiHH)	H(CSiHH)	108.5557	1.206	82	108.5557	1.453	82	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiN[6a]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiN[6a]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4682	0.065	13	109.4682	0.004	13	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiNb[10x3]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiNb[10x3]CC)(H)3	H(CSiHH)	H(CSiHH)	106.8167	2.682	6	106.8167	7.193	6	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiNb[10x3]CF)(H)3	H(CSiHH)	H(CSiHH)	C(SiNb[10x3]CF)(H)3	H(CSiHH)	H(CSiHH)	107.3745	2.522	6	107.3745	6.362	6	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiNb[10x3]CH)(H)3	H(CSiHH)	H(CSiHH)	C(SiNb[10x3]CH)(H)3	H(CSiHH)	H(CSiHH)	105.9277	4.019	6	105.9277	16.156	6	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiNb[10x3]CI)(H)3	H(CSiHH)	H(CSiHH)	C(SiNb[10x3]CI)(H)3	H(CSiHH)	H(CSiHH)	107.8091	2.591	17	107.8091	6.713	17	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiNb[10x3]CO)(H)3	H(CSiHH)	H(CSiHH)	C(SiNb[10x3]CO)(H)3	H(CSiHH)	H(CSiHH)	107.0274	2.908	12	107.0274	8.457	12	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiNb[10x3]CP)(H)3	H(CSiHH)	H(CSiHH)	C(SiNb[10x3]CP)(H)3	H(CSiHH)	H(CSiHH)	107.1890	1.585	6	107.1890	2.514	6	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiNb[10x3]ClC)(H)3	H(CSiHH)	H(CSiHH)	C(SiNb[10x3]ClC)(H)3	H(CSiHH)	H(CSiHH)	108.1792	2.400	6	108.1792	5.758	6	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiNiCC)(H)3	H(CSiHH)	H(CSiHH)	C(SiNiCC)(H)3	H(CSiHH)	H(CSiHH)	109.4805	0.012	2	109.4805	0.000	2	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiNiCH)(H)3	H(CSiHH)	H(CSiHH)	C(SiNiCH)(H)3	H(CSiHH)	H(CSiHH)	109.4531	0.051	7	109.4531	0.003	7	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiNiSi2)(H)3	H(CSiHH)	H(CSiHH)	C(SiNiSi2)(H)3	H(CSiHH)	H(CSiHH)	109.4707	0.030	3	109.4707	0.001	3	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiO3)(H)3	H(CSiHH)	H(CSiHH)	C(SiO3)(H)3	H(CSiHH)	H(CSiHH)	109.1164	1.902	49	109.1164	3.619	49	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiO[4]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiO[4]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4561	0.062	7	109.4561	0.004	7	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiO[5]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiO[5]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4661	0.048	12	109.4661	0.002	12	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiP[4]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiP[4]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4661	0.040	8	109.4661	0.002	8	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiP[5]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiP[5]CC)(H)3	H(CSiHH)	H(CSiHH)	105.6976	7.414	12	105.6976	54.973	12	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiP[6,6]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiP[6,6]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4874	0.045	5	109.4874	0.002	5	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiP[6]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiP[6]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4600	0.032	5	109.4600	0.001	5	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiPt2C)(H)3	H(CSiHH)	H(CSiHH)	C(SiPt2C)(H)3	H(CSiHH)	H(CSiHH)	109.4710	0.072	8	109.4710	0.005	8	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiPt3)(H)3	H(CSiHH)	H(CSiHH)	C(SiPt3)(H)3	H(CSiHH)	H(CSiHH)	109.4980	0.115	3	109.4980	0.013	3	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiPtCC)(H)3	H(CSiHH)	H(CSiHH)	C(SiPtCC)(H)3	H(CSiHH)	H(CSiHH)	109.4624	0.054	10	109.4624	0.003	10	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiPtCH)(H)3	H(CSiHH)	H(CSiHH)	C(SiPtCH)(H)3	H(CSiHH)	H(CSiHH)	109.4368	0.046	4	109.4368	0.002	4	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiPtHH)(H)3	H(CSiHH)	H(CSiHH)	C(SiPtHH)(H)3	H(CSiHH)	H(CSiHH)	109.4687	0.068	6	109.4687	0.005	6	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiPtSiC)(H)3	H(CSiHH)	H(CSiHH)	C(SiPtSiC)(H)3	H(CSiHH)	H(CSiHH)	109.4878	0.106	5	109.4878	0.011	5	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiRhCC)(H)3	H(CSiHH)	H(CSiHH)	C(SiRhCC)(H)3	H(CSiHH)	H(CSiHH)	109.4695	0.059	22	109.4695	0.004	22	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiRhCO)(H)3	H(CSiHH)	H(CSiHH)	C(SiRhCO)(H)3	H(CSiHH)	H(CSiHH)	109.4940	0.058	7	109.4940	0.003	7	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiRu2C)(H)3	H(CSiHH)	H(CSiHH)	C(SiRu2C)(H)3	H(CSiHH)	H(CSiHH)	109.4414	0.054	5	109.4414	0.003	5	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiRuCC)(H)3	H(CSiHH)	H(CSiHH)	C(SiRuCC)(H)3	H(CSiHH)	H(CSiHH)	108.9367	2.649	68	108.9367	7.018	68	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiRuCH)(H)3	H(CSiHH)	H(CSiHH)	C(SiRuCH)(H)3	H(CSiHH)	H(CSiHH)	107.2360	2.715	6	107.2360	7.369	6	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiRuCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiRuCN)(H)3	H(CSiHH)	H(CSiHH)	108.5551	3.324	87	108.5551	11.047	87	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiSbCC)(H)3	H(CSiHH)	H(CSiHH)	C(SiSbCC)(H)3	H(CSiHH)	H(CSiHH)	109.4778	0.089	8	109.4778	0.008	8	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiSeCC)(H)3	H(CSiHH)	H(CSiHH)	C(SiSeCC)(H)3	H(CSiHH)	H(CSiHH)	108.8273	2.794	72	108.8273	7.804	72	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiSi2C)(H)3	H(CSiHH)	H(CSiHH)	C(SiSi2C)(H)3	H(CSiHH)	H(CSiHH)	109.4786	0.374	322	109.4786	0.140	322	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiSi2O)(H)3	H(CSiHH)	H(CSiHH)	C(SiSi2O)(H)3	H(CSiHH)	H(CSiHH)	109.4982	0.027	5	109.4982	0.001	5	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiSi3)(H)3	H(CSiHH)	H(CSiHH)	C(SiSi3)(H)3	H(CSiHH)	H(CSiHH)	109.4804	0.059	56	109.4804	0.003	56	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiSiCC)(H)3	H(CSiHH)	H(CSiHH)	C(SiSiCC)(H)3	H(CSiHH)	H(CSiHH)	109.3555	0.859	2421	109.3555	0.738	2421	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiSiCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiSiCN)(H)3	H(CSiHH)	H(CSiHH)	109.4753	0.056	119	109.4753	0.003	119	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiSiCO)(H)3	H(CSiHH)	H(CSiHH)	C(SiSiCO)(H)3	H(CSiHH)	H(CSiHH)	109.4598	0.055	44	109.4598	0.003	44	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiSi[3,3]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiSi[3,3]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4638	0.063	26	109.4638	0.004	26	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiSi[3]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiSi[3]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4731	0.062	48	109.4731	0.004	48	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiSi[3x6]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiSi[3x6]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4497	0.053	24	109.4497	0.003	24	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiSi[3x6]C[5]C)(H)3	H(CSiHH)	H(CSiHH)	C(SiSi[3x6]C[5]C)(H)3	H(CSiHH)	H(CSiHH)	109.4791	0.037	9	109.4791	0.001	9	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiSi[3x6]C[6a]C)(H)3	H(CSiHH)	H(CSiHH)	C(SiSi[3x6]C[6a]C)(H)3	H(CSiHH)	H(CSiHH)	109.4699	0.057	7	109.4699	0.003	7	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiSi[4,4]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiSi[4,4]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4963	0.067	7	109.4963	0.005	7	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiSi[4,5]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiSi[4,5]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4743	0.073	14	109.4743	0.005	14	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiSi[4]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiSi[4]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4302	0.383	134	109.4302	0.147	134	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiSi[5,5]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiSi[5,5]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4545	0.062	19	109.4545	0.004	19	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiSi[5,6]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiSi[5,6]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4597	0.050	9	109.4597	0.003	9	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiSi[5]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiSi[5]CC)(H)3	H(CSiHH)	H(CSiHH)	109.3799	1.275	299	109.3799	1.626	299	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiSi[5]SiC)(H)3	H(CSiHH)	H(CSiHH)	C(SiSi[5]SiC)(H)3	H(CSiHH)	H(CSiHH)	109.5098	0.041	6	109.5098	0.002	6	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiSi[6,6]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiSi[6,6]CC)(H)3	H(CSiHH)	H(CSiHH)	109.4798	0.069	20	109.4798	0.005	20	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiSi[6]CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiSi[6]CC)(H)3	H(CSiHH)	H(CSiHH)	109.3181	0.745	215	109.3181	0.555	215	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiSnCC)(H)3	H(CSiHH)	H(CSiHH)	C(SiSnCC)(H)3	H(CSiHH)	H(CSiHH)	109.4731	0.140	113	109.4731	0.020	113	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiTaCO)(H)3	H(CSiHH)	H(CSiHH)	C(SiTaCO)(H)3	H(CSiHH)	H(CSiHH)	108.9712	0.632	12	108.9712	0.399	12	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiTeCC)(H)3	H(CSiHH)	H(CSiHH)	C(SiTeCC)(H)3	H(CSiHH)	H(CSiHH)	109.4510	0.082	7	109.4510	0.007	7	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si-4:H-1:H-1:H-1:	C-4:	C-4:	C(SiZrCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiZrCN)(H)3	H(CSiHH)	H(CSiHH)	109.4798	0.026	5	109.4798	0.001	5	109.3373	1.695	37606	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[3]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[3]Si[3]2C)(H)3	H(CSi[3]HH)	H(CSi[3]HH)	C(Si[3]Si[3]2C)(H)3	H(CSi[3]HH)	H(CSi[3]HH)	109.4840	0.147	2	109.4840	0.022	2	109.4840	0.022	2	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[3x6]C[6,6]3)(H)3	H(CSi[3x6]HH)	H(CSi[3x6]HH)	C(Si[3x6]C[6,6]3)(H)3	H(CSi[3x6]HH)	H(CSi[3x6]HH)	109.3915	0.112	2	109.3915	0.013	2	108.2796	3.163	8	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[3x6]O[6,6]3)(H)3	H(CSi[3x6]HH)	H(CSi[3x6]HH)	C(Si[3x6]O[6,6]3)(H)3	H(CSi[3x6]HH)	H(CSi[3x6]HH)	108.0135	2.681	2	108.0135	7.186	2	108.2796	3.163	8	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[3x6]Si[6,6]2O[6,6])(H)3	H(CSi[3x6]HH)	H(CSi[3x6]HH)	C(Si[3x6]Si[6,6]2O[6,6])(H)3	H(CSi[3x6]HH)	H(CSi[3x6]HH)	106.2330	1.031	2	106.2330	1.063	2	108.2796	3.163	8	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[3x6]Si[6,6]3)(H)3	H(CSi[3x6]HH)	H(CSi[3x6]HH)	C(Si[3x6]Si[6,6]3)(H)3	H(CSi[3x6]HH)	H(CSi[3x6]HH)	109.4805	0.025	2	109.4805	0.001	2	108.2796	3.163	8	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[4]C[3,3,4,5]2C)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	C(Si[4]C[3,3,4,5]2C)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	109.4722	0.054	6	109.4722	0.003	6	109.4660	0.003	202	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[4]C[3,3,4,5]N[4,6]C)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	C(Si[4]C[3,3,4,5]N[4,6]C)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	109.4710	0.058	6	109.4710	0.003	6	109.4660	0.003	202	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[4]C[4,6a]Ge[4]C)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	C(Si[4]C[4,6a]Ge[4]C)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	109.4137	0.071	4	109.4137	0.005	4	109.4660	0.003	202	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[4]C[4,6a]Si[4]C)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	C(Si[4]C[4,6a]Si[4]C)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	109.4632	0.051	6	109.4632	0.003	6	109.4660	0.003	202	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[4]C[4]2C)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	C(Si[4]C[4]2C)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	109.4511	0.051	15	109.4511	0.003	15	109.4660	0.003	202	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[4]C[4]N[4]C)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	C(Si[4]C[4]N[4]C)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	109.4752	0.037	12	109.4752	0.001	12	109.4660	0.003	202	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[4]Ge[4,4]C[4]C)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	C(Si[4]Ge[4,4]C[4]C)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	109.4789	0.101	9	109.4789	0.010	9	109.4660	0.003	202	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[4]Ge[4,4]Ge[4]C)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	C(Si[4]Ge[4,4]Ge[4]C)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	109.4957	0.099	6	109.4957	0.010	6	109.4660	0.003	202	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[4]Ge[4,4]Si[4]C)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	C(Si[4]Ge[4,4]Si[4]C)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	109.4957	0.026	3	109.4957	0.001	3	109.4660	0.003	202	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[4]N[4,6]C[4]C)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	C(Si[4]N[4,6]C[4]C)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	109.4765	0.011	2	109.4765	0.000	2	109.4660	0.003	202	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[4]N[4]2C)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	C(Si[4]N[4]2C)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	109.4660	0.049	97	109.4660	0.002	97	109.4660	0.003	202	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[4]N[4]2Fe)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	C(Si[4]N[4]2Fe)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	109.4080	0.120	3	109.4080	0.014	3	109.4660	0.003	202	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[4]N[4]2H)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	C(Si[4]N[4]2H)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	109.4680	0.042	2	109.4680	0.002	2	109.4660	0.003	202	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[4]N[4]2N)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	C(Si[4]N[4]2N)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	109.4641	0.055	7	109.4641	0.003	7	109.4660	0.003	202	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[4]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[4]Si[4]2C)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	C(Si[4]Si[4]2C)(H)3	H(CSi[4]HH)	H(CSi[4]HH)	109.4683	0.058	24	109.4683	0.003	24	109.4660	0.003	202	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5,3x6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5,3x6]Si[5,6,6]2Si[6,6])(H)3	H(CSi[5,3x6]HH)	H(CSi[5,3x6]HH)	C(Si[5,3x6]Si[5,6,6]2Si[6,6])(H)3	H(CSi[5,3x6]HH)	H(CSi[5,3x6]HH)	109.4460	0.068	3	109.4460	0.005	3	109.4460	0.005	3	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5,5,6]C[5,6]2O[5,5])(H)3	H(CSi[5,5,6]HH)	H(CSi[5,5,6]HH)	C(Si[5,5,6]C[5,6]2O[5,5])(H)3	H(CSi[5,5,6]HH)	H(CSi[5,5,6]HH)	107.4542	0.863	6	107.4542	0.744	6	108.1267	1.483	9	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5,5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5,5,6]Si[5,6]2N[5,5])(H)3	H(CSi[5,5,6]HH)	H(CSi[5,5,6]HH)	C(Si[5,5,6]Si[5,6]2N[5,5])(H)3	H(CSi[5,5,6]HH)	H(CSi[5,5,6]HH)	109.4717	0.046	3	109.4717	0.002	3	108.1267	1.483	9	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5,5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5,5]C[5,5,6]2C[6a])(H)3	H(CSi[5,5]HH)	H(CSi[5,5]HH)	C(Si[5,5]C[5,5,6]2C[6a])(H)3	H(CSi[5,5]HH)	H(CSi[5,5]HH)	109.5125	0.081	2	109.5125	0.007	2	109.5125	0.007	2	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5,6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5,6,6]Si[5,3x6]Si[6,6]Si[5])(H)3	H(CSi[5,6,6]HH)	H(CSi[5,6,6]HH)	C(Si[5,6,6]Si[5,3x6]Si[6,6]Si[5])(H)3	H(CSi[5,6,6]HH)	H(CSi[5,6,6]HH)	109.4994	0.067	5	109.4994	0.005	5	109.4994	0.005	5	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5,6]Si[5,5,6]Si[5,6]C)(H)3	H(CSi[5,6]HH)	H(CSi[5,6]HH)	C(Si[5,6]Si[5,5,6]Si[5,6]C)(H)3	H(CSi[5,6]HH)	H(CSi[5,6]HH)	109.4843	0.036	6	109.4843	0.001	6	109.4672	0.003	10	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5,6]Si[5,6]2C)(H)3	H(CSi[5,6]HH)	H(CSi[5,6]HH)	C(Si[5,6]Si[5,6]2C)(H)3	H(CSi[5,6]HH)	H(CSi[5,6]HH)	109.4415	0.064	4	109.4415	0.004	4	109.4672	0.003	10	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5,5,6]O[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[5,5,6]O[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4691	0.043	8	109.4691	0.002	8	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5,5]N[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[5,5]N[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	108.8068	1.257	52	108.8068	1.581	52	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5,5a]2C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[5,5a]2C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4782	0.054	41	109.4782	0.003	41	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5,5a]C[5,6a]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[5,5a]C[5,6a]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4645	0.024	11	109.4645	0.001	11	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5,5a]C[5,6a]C[6a])(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[5,5a]C[5,6a]C[6a])(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4723	0.047	8	109.4723	0.002	8	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5,5a]C[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[5,5a]C[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4747	0.063	18	109.4747	0.004	18	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5,6,6]C[5,6a]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[5,6,6]C[5,6a]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4687	0.042	10	109.4687	0.002	10	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5,6]C[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[5,6]C[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4680	0.055	36	109.4680	0.003	36	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5,6]O[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[5,6]O[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4862	0.064	5	109.4862	0.004	5	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5,6a]2C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[5,6a]2C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4736	0.044	64	109.4736	0.002	64	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5,6a]C[5,5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[5,6a]C[5,5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	108.9020	2.175	64	108.9020	4.731	64	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5,6a]C[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[5,6a]C[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.2963	1.122	69	109.2963	1.259	69	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5,6a]O[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[5,6a]O[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4566	0.130	83	109.4566	0.017	83	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5,6a]Si[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[5,6a]Si[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4691	0.065	28	109.4691	0.004	28	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5]2C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[5]2C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.5257	1.657	105	109.5257	2.746	105	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5]2O)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[5]2O)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4972	0.044	5	109.4972	0.002	5	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5]N[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[5]N[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4736	0.047	33	109.4736	0.002	33	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5]O[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[5]O[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.8467	2.514	34	109.8467	6.319	34	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5]P[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[5]P[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.5710	7.632	32	109.5710	58.245	32	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[6a]C[5]2)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[6a]C[5]2)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4663	0.043	3	109.4663	0.002	3	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[6a]O[5]2)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[6a]O[5]2)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4653	0.052	3	109.4653	0.003	3	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]Ge[4,5]Si[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]Ge[4,5]Si[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4685	0.088	6	109.4685	0.008	6	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]Ge[5,5]Si[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]Ge[5,5]Si[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4648	0.037	5	109.4648	0.001	5	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]Ge[5]Si[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]Ge[5]Si[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4844	0.056	19	109.4844	0.003	19	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]N[5,5]C[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]N[5,5]C[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4403	0.146	28	109.4403	0.021	28	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]N[5]2Co)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]N[5]2Co)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4726	0.059	17	109.4726	0.003	17	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]N[5]O[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]N[5]O[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4770	0.046	8	109.4770	0.002	8	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]N[5]O[5]O)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]N[5]O[5]O)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4873	0.023	3	109.4873	0.001	3	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]N[5]P[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]N[5]P[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4645	0.036	2	109.4645	0.001	2	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]N[5]S[5]S)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]N[5]S[5]S)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4925	0.033	2	109.4925	0.001	2	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]N[5]S[5]Se)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]N[5]S[5]Se)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4823	0.029	3	109.4823	0.001	3	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]O[5]2C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]O[5]2C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4870	0.033	3	109.4870	0.001	3	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]Si[4,5]Si[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]Si[4,5]Si[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4678	0.076	10	109.4678	0.006	10	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]Si[5,5]C[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]Si[5,5]C[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4668	0.049	6	109.4668	0.002	6	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]Si[5,5]Si[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]Si[5,5]Si[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4783	0.077	29	109.4783	0.006	29	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]Si[5,6,6]Si[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]Si[5,6,6]Si[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4871	0.047	9	109.4871	0.002	9	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]Si[5,6]N[5]2)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]Si[5,6]N[5]2)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4793	0.070	3	109.4793	0.005	3	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]Si[5,6]Si[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]Si[5,6]Si[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4943	0.057	6	109.4943	0.003	6	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4673	0.057	149	109.4673	0.003	149	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]Si[5]2Si)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]Si[5]2Si)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4960	0.220	3	109.4960	0.048	3	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]Si[5]C[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]Si[5]C[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4770	0.027	4	109.4770	0.001	4	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]Si[5]N[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]Si[5]N[5]C)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4683	0.034	3	109.4683	0.001	3	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[5]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]Si[6]N[5]2)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]Si[6]N[5]2)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4800	0.040	2	109.4800	0.002	2	109.4106	2.731	1032	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6,6]C[3x6]2C)(H)3	H(CSi[6,6]HH)	H(CSi[6,6]HH)	C(Si[6,6]C[3x6]2C)(H)3	H(CSi[6,6]HH)	H(CSi[6,6]HH)	109.4955	0.092	6	109.4955	0.008	6	109.4235	0.135	145	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6,6]C[3x6]N[6,6]C)(H)3	H(CSi[6,6]HH)	H(CSi[6,6]HH)	C(Si[6,6]C[3x6]N[6,6]C)(H)3	H(CSi[6,6]HH)	H(CSi[6,6]HH)	109.4533	0.040	7	109.4533	0.002	7	109.4235	0.135	145	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6,6]N[3x6]N[6]2)(H)3	H(CSi[6,6]HH)	H(CSi[6,6]HH)	C(Si[6,6]N[3x6]N[6]2)(H)3	H(CSi[6,6]HH)	H(CSi[6,6]HH)	109.4470	0.010	2	109.4470	0.000	2	109.4235	0.135	145	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6,6]Si[3x6]2C)(H)3	H(CSi[6,6]HH)	H(CSi[6,6]HH)	C(Si[6,6]Si[3x6]2C)(H)3	H(CSi[6,6]HH)	H(CSi[6,6]HH)	108.6204	1.390	8	108.6204	1.933	8	109.4235	0.135	145	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6,6]Si[3x6]Si[6,6]C)(H)3	H(CSi[6,6]HH)	H(CSi[6,6]HH)	C(Si[6,6]Si[3x6]Si[6,6]C)(H)3	H(CSi[6,6]HH)	H(CSi[6,6]HH)	109.4707	0.056	116	109.4707	0.003	116	109.4235	0.135	145	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6,6]Si[5,3x6]Si[6,6]C)(H)3	H(CSi[6,6]HH)	H(CSi[6,6]HH)	C(Si[6,6]Si[5,3x6]Si[6,6]C)(H)3	H(CSi[6,6]HH)	H(CSi[6,6]HH)	109.3985	0.011	2	109.3985	0.000	2	109.4235	0.135	145	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6,6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6,6]Si[5,6,6]Si[3x6]C)(H)3	H(CSi[6,6]HH)	H(CSi[6,6]HH)	C(Si[6,6]Si[5,6,6]Si[3x6]C)(H)3	H(CSi[6,6]HH)	H(CSi[6,6]HH)	109.5032	0.041	4	109.5032	0.002	4	109.4235	0.135	145	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(Si[6]N[6]2Cl)(Cl)(H)2	H(CSi[6]ClH)	H(CSi[6]ClH)	C(Si[6]N[6]2Cl)(Cl)(H)2	H(CSi[6]ClH)	H(CSi[6]ClH)	107.7640	0.000	1	107.7640	0.000	1	107.7640	0.000	1	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]C[3x6]O[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]C[3x6]O[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4598	0.039	13	109.4598	0.002	13	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]C[4x6]C[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]C[4x6]C[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4732	0.059	6	109.4732	0.004	6	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]C[5,6]2C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]C[5,6]2C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4689	0.063	85	109.4689	0.004	85	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]C[5,6]C[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]C[5,6]C[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4397	0.070	14	109.4397	0.005	14	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]C[5,6]C[6a]C[6])(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]C[5,6]C[6a]C[6])(H)3	H(CSi[6]HH)	H(CSi[6]HH)	107.3090	1.566	3	107.3090	2.452	3	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]C[5a,6]2C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]C[5a,6]2C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4726	0.051	8	109.4726	0.003	8	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]C[5a,6]C[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]C[5a,6]C[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4727	0.035	6	109.4727	0.001	6	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]C[6,6]O[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]C[6,6]O[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4740	0.043	8	109.4740	0.002	8	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]C[6,6a]2C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]C[6,6a]2C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4765	0.053	52	109.4765	0.003	52	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]C[6,6a]C[3x6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]C[6,6a]C[3x6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4760	0.080	5	109.4760	0.006	5	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]C[6,6a]C[6,6]C[6a])(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]C[6,6a]C[6,6]C[6a])(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4753	0.020	4	109.4753	0.000	4	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]C[6,6a]C[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]C[6,6a]C[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4687	0.045	40	109.4687	0.002	40	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]C[6,6a]F[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]C[6,6a]F[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4512	0.042	6	109.4512	0.002	6	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]C[6,6a]O[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]C[6,6a]O[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4690	0.000	1	109.4690	0.000	1	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]C[6]2C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]C[6]2C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4726	0.045	28	109.4726	0.002	28	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]C[6]N[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]C[6]N[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4863	0.065	9	109.4863	0.004	9	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]C[6]O[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]C[6]O[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.1405	2.226	48	109.1405	4.956	48	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]C[6]O[6]Cl)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]C[6]O[6]Cl)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.5133	0.019	3	109.5133	0.000	3	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]C[6]O[6]O)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]C[6]O[6]O)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4640	0.034	3	109.4640	0.001	3	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]C[6]P[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]C[6]P[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4660	0.057	10	109.4660	0.003	10	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]C[6a]C[6]2)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]C[6a]C[6]2)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4802	3.643	8	109.4802	13.272	8	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]C[6a]Si[6]2)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]C[6a]Si[6]2)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4960	0.078	10	109.4960	0.006	10	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]Ge[4,6]Si[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]Ge[4,6]Si[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4686	0.061	10	109.4686	0.004	10	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]Ge[6]Si[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]Ge[6]Si[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4760	0.057	33	109.4760	0.003	33	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]N[6,6]O[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]N[6,6]O[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4797	0.073	4	109.4797	0.005	4	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]N[6]2C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]N[6]2C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.2363	2.013	19	109.2363	4.054	19	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]N[6]2N)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]N[6]2N)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4598	0.060	6	109.4598	0.004	6	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]N[6]O[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]N[6]O[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4680	0.083	5	109.4680	0.007	5	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]O[6]2C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]O[6]2C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4661	0.045	25	109.4661	0.002	25	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]Si[5,6]C[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]Si[5,6]C[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4525	0.037	2	109.4525	0.001	2	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]Si[5]N[6]O[6])(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]Si[5]N[6]O[6])(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4773	0.028	3	109.4773	0.001	3	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]Si[6,6]C[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]Si[6,6]C[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4734	0.054	9	109.4734	0.003	9	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4719	0.063	215	109.4719	0.004	215	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]Si[6]2O)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]Si[6]2O)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4963	0.055	3	109.4963	0.003	3	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]Si[6]2Si)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]Si[6]2Si)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4501	0.051	13	109.4501	0.003	13	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]Si[6]C[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]Si[6]C[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4668	0.057	4	109.4668	0.003	4	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:1:1:1:	4:	4:	Si[6]-4:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]Si[6]O[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]Si[6]O[6]C)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	109.4686	0.051	8	109.4686	0.003	8	109.4341	0.584	729	109.3744	1.542	595102	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	As-4:C-2:H-1:H-1:	C-4:	C-4:	C(AsC[6a]2Mo)(CC)(H)2	H(CAsCH)	H(CAsCH)	C(AsC[6a]2Mo)(CC)(H)2	H(CAsCH)	H(CAsCH)	108.3220	0.000	1	108.3220	0.000	1	108.3220	0.000	1	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	B-4:C-2:H-1:H-1:	C-4:	C-4:	C(BF3)(CN)(H)2	H(CBCH)	H(CBCH)	C(BF3)(CN)(H)2	H(CBCH)	H(CBCH)	107.6580	0.000	1	107.6580	0.000	1	107.6580	0.000	1	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	B-4:O-2:H-1:H-1:	C-4:	C-4:	C(BC[6a]2N[6])(OZr)(H)2	H(CBHO)	H(CBHO)	C(BC[6a]2N[6])(OZr)(H)2	H(CBHO)	H(CBHO)	107.0100	0.000	1	107.0100	0.000	1	107.0100	0.000	1	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	B-4:S-2:H-1:H-1:	C-4:	C-4:	C(BC[6a]2C)(SC[6])(H)2	H(CBHS)	H(CBHS)	C(BC[6a]2C)(SC[6])(H)2	H(CBHS)	H(CBHS)	108.2180	0.000	1	108.2180	0.000	1	107.7491	0.058	8	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	B-4:S-2:H-1:H-1:	C-4:	C-4:	C(BC[6a]CC)(SC)(H)2	H(CBHS)	H(CBHS)	C(BC[6a]CC)(SC)(H)2	H(CBHS)	H(CBHS)	107.6821	0.160	7	107.6821	0.026	7	107.7491	0.058	8	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	B[5a]-4:C-2:H-1:H-1:	C-4:	C-4:	C(B[5a]N[5a,6a]2C[5])(CN)(H)2	H(CB[5a]CH)	H(CB[5a]CH)	C(B[5a]N[5a,6a]2C[5])(CN)(H)2	H(CB[5a]CH)	H(CB[5a]CH)	107.8420	0.000	1	107.8420	0.000	1	107.8420	0.000	1	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:Br-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(BrPt)(H)2	H(CBrCH)	H(CBrCH)	C(CC[6a]CH)(BrPt)(H)2	H(CBrCH)	H(CBrCH)	107.1970	0.000	1	107.1970	0.000	1	107.1970	0.000	1	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC3)(CC)(H)2	H(CCCH)	H(CCCH)	C(CC3)(CC)(H)2	H(CCCH)	H(CCCH)	108.1937	1.087	14	108.1937	1.182	14	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC3)(CN)(H)2	H(CCCH)	H(CCCH)	C(CC3)(CN)(H)2	H(CCCH)	H(CCCH)	106.2585	2.708	4	106.2585	7.331	4	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CCCH)(CC)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CC)(H)2	H(CCCH)	H(CCCH)	107.9214	0.178	11	107.9214	0.032	11	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CCCH)(CN)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CN)(H)2	H(CCCH)	H(CCCH)	107.9400	0.000	1	107.9400	0.000	1	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CCCN)(CC)(H)2	H(CCCH)	H(CCCH)	C(CCCN)(CC)(H)2	H(CCCH)	H(CCCH)	95.8635	0.000	1	95.8635	0.000	1	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CCCO)(CC)(H)2	H(CCCH)	H(CCCH)	C(CCCO)(CC)(H)2	H(CCCH)	H(CCCH)	107.8055	0.023	2	107.8055	0.001	2	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(CC)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CC)(H)2	H(CCCH)	H(CCCH)	107.4845	1.994	116	107.4845	3.977	116	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(CH)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CH)(H)2	H(CCCH)	H(CCCH)	102.4040	8.590	5	102.4040	73.795	5	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(CN)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CN)(H)2	H(CCCH)	H(CCCH)	107.9667	1.282	81	107.9667	1.645	81	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(COs)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(COs)(H)2	H(CCCH)	H(CCCH)	106.9290	0.979	2	106.9290	0.958	2	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(CRe)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CRe)(H)2	H(CCCH)	H(CCCH)	107.7450	0.000	1	107.7450	0.000	1	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CCHN)(CC)(H)2	H(CCCH)	H(CCCH)	C(CCHN)(CC)(H)2	H(CCCH)	H(CCCH)	106.2546	2.088	5	106.2546	4.360	5	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CCHN)(CN)(H)2	H(CCCH)	H(CCCH)	C(CCHN)(CN)(H)2	H(CCCH)	H(CCCH)	107.9320	0.109	2	107.9320	0.012	2	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CCHO)(CC)(H)2	H(CCCH)	H(CCCH)	C(CCHO)(CC)(H)2	H(CCCH)	H(CCCH)	107.8907	0.241	3	107.8907	0.058	3	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CCHO)(CN)(H)2	H(CCCH)	H(CCCH)	C(CCHO)(CN)(H)2	H(CCCH)	H(CCCH)	111.5619	3.519	7	111.5619	12.384	7	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CCHS)(CC)(H)2	H(CCCH)	H(CCCH)	C(CCHS)(CC)(H)2	H(CCCH)	H(CCCH)	108.0670	0.000	1	108.0670	0.000	1	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC[3,3,5,3x6]HH)(CN)(H)2	H(CCCH)	H(CCCH)	C(CC[3,3,5,3x6]HH)(CN)(H)2	H(CCCH)	H(CCCH)	107.9640	0.020	2	107.9640	0.000	2	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC[3]HH)(CN)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HH)(CN)(H)2	H(CCCH)	H(CCCH)	107.7710	0.000	1	107.7710	0.000	1	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC[5,5]HH)(CN)(H)2	H(CCCH)	H(CCCH)	C(CC[5,5]HH)(CN)(H)2	H(CCCH)	H(CCCH)	107.9550	0.000	1	107.9550	0.000	1	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC[5]CC)(CN)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CC)(CN)(H)2	H(CCCH)	H(CCCH)	107.7625	0.177	2	107.7625	0.032	2	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(CN)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CH)(CN)(H)2	H(CCCH)	H(CCCH)	107.7280	0.008	2	107.7280	0.000	2	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CC)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CC)(H)2	H(CCCH)	H(CCCH)	108.0290	0.000	1	108.0290	0.000	1	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CN)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CN)(H)2	H(CCCH)	H(CCCH)	107.7751	0.290	8	107.7751	0.084	8	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]CC)(CC)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]CC)(CC)(H)2	H(CCCH)	H(CCCH)	107.9550	0.080	4	107.9550	0.006	4	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]CC)(CN)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]CC)(CN)(H)2	H(CCCH)	H(CCCH)	107.5290	0.000	1	107.5290	0.000	1	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(CC)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HH)(CC)(H)2	H(CCCH)	H(CCCH)	107.6800	0.000	1	107.6800	0.000	1	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(CN)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HH)(CN)(H)2	H(CCCH)	H(CCCH)	107.9670	0.000	1	107.9670	0.000	1	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC[6,6]HH)(CN)(H)2	H(CCCH)	H(CCCH)	C(CC[6,6]HH)(CN)(H)2	H(CCCH)	H(CCCH)	108.2210	0.000	1	108.2210	0.000	1	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CC)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CC)(H)2	H(CCCH)	H(CCCH)	107.8935	0.033	2	107.8935	0.001	2	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CN)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CN)(H)2	H(CCCH)	H(CCCH)	107.2917	1.635	12	107.2917	2.673	12	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]2C)(CC)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2C)(CC)(H)2	H(CCCH)	H(CCCH)	107.7880	0.000	1	107.7880	0.000	1	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]2H)(CN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2H)(CN)(H)2	H(CCCH)	H(CCCH)	107.8150	0.000	1	107.8150	0.000	1	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]2O)(CC)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2O)(CC)(H)2	H(CCCH)	H(CCCH)	107.9710	0.100	3	107.9710	0.010	3	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]2O)(CRe)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2O)(CRe)(H)2	H(CCCH)	H(CCCH)	107.7250	0.000	1	107.7250	0.000	1	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CN)(H)2	H(CCCH)	H(CCCH)	107.8547	0.098	4	107.8547	0.010	4	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]CN)(CN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CN)(CN)(H)2	H(CCCH)	H(CCCH)	107.9980	0.000	1	107.9980	0.000	1	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(CC)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CO)(CC)(H)2	H(CCCH)	H(CCCH)	114.4700	0.000	1	114.4700	0.000	1	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CC[6a])(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CC[6a])(H)2	H(CCCH)	H(CCCH)	107.2180	0.000	1	107.2180	0.000	1	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CN)(H)2	H(CCCH)	H(CCCH)	107.9154	0.188	5	107.9154	0.035	5	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(CC)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HO)(CC)(H)2	H(CCCH)	H(CCCH)	107.5249	2.114	10	107.5249	4.468	10	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(CN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HO)(CN)(H)2	H(CCCH)	H(CCCH)	108.0510	0.000	1	108.0510	0.000	1	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HS)(CC)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HS)(CC)(H)2	H(CCCH)	H(CCCH)	109.4460	0.000	1	109.4460	0.000	1	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CCoHH)(CN)(H)2	H(CCCH)	H(CCCH)	C(CCoHH)(CN)(H)2	H(CCCH)	H(CCCH)	107.8425	0.150	4	107.8425	0.022	4	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CH3)(CC)(H)2	H(CCCH)	H(CCCH)	C(CH3)(CC)(H)2	H(CCCH)	H(CCCH)	106.6555	1.846	11	106.6555	3.406	11	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CH3)(CMo)(H)2	H(CCCH)	H(CCCH)	C(CH3)(CMo)(H)2	H(CCCH)	H(CCCH)	107.0950	0.000	2	107.0950	0.000	2	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CH3)(CN)(H)2	H(CCCH)	H(CCCH)	C(CH3)(CN)(H)2	H(CCCH)	H(CCCH)	107.9832	0.506	41	107.9832	0.256	41	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CH3)(CO)(H)2	H(CCCH)	H(CCCH)	C(CH3)(CO)(H)2	H(CCCH)	H(CCCH)	108.5180	0.000	1	108.5180	0.000	1	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(CC)(H)2	H(CCCH)	H(CCCH)	C(CHHN)(CC)(H)2	H(CCCH)	H(CCCH)	107.9968	0.659	6	107.9968	0.434	6	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(CH)(H)2	H(CCCH)	H(CCCH)	C(CHHN)(CH)(H)2	H(CCCH)	H(CCCH)	106.7780	0.000	1	106.7780	0.000	1	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(CN)(H)2	H(CCCH)	H(CCCH)	C(CHHN)(CN)(H)2	H(CCCH)	H(CCCH)	107.9447	0.398	32	107.9447	0.158	32	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CHHO)(CC)(H)2	H(CCCH)	H(CCCH)	C(CHHO)(CC)(H)2	H(CCCH)	H(CCCH)	107.9198	0.190	10	107.9198	0.036	10	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CHHO)(CH)(H)2	H(CCCH)	H(CCCH)	C(CHHO)(CH)(H)2	H(CCCH)	H(CCCH)	110.0150	0.000	1	110.0150	0.000	1	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CHHP)(CN)(H)2	H(CCCH)	H(CCCH)	C(CHHP)(CN)(H)2	H(CCCH)	H(CCCH)	108.1584	0.544	15	108.1584	0.296	15	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CHHS)(CN)(H)2	H(CCCH)	H(CCCH)	C(CHHS)(CN)(H)2	H(CCCH)	H(CCCH)	108.1877	0.663	33	108.1877	0.440	33	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CHNN)(CN)(H)2	H(CCCH)	H(CCCH)	C(CHNN)(CN)(H)2	H(CCCH)	H(CCCH)	108.1490	0.000	1	108.1490	0.000	1	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CInHH)(CH)(H)2	H(CCCH)	H(CCCH)	C(CInHH)(CH)(H)2	H(CCCH)	H(CCCH)	109.4810	0.000	1	109.4810	0.000	1	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CMoCH)(CC)(H)2	H(CCCH)	H(CCCH)	C(CMoCH)(CC)(H)2	H(CCCH)	H(CCCH)	109.2630	0.000	1	109.2630	0.000	1	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CC)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CC)(H)2	H(CCCH)	H(CCCH)	107.6305	0.251	2	107.6305	0.063	2	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CN)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CN)(H)2	H(CCCH)	H(CCCH)	107.8998	0.169	6	107.8998	0.029	6	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(CN)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]HH)(CN)(H)2	H(CCCH)	H(CCCH)	108.7837	2.308	8	108.7837	5.328	8	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(CC)(H)2	H(CCCH)	H(CCCH)	C(CN[6]HH)(CC)(H)2	H(CCCH)	H(CCCH)	108.6423	1.125	4	108.6423	1.266	4	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(CN)(H)2	H(CCCH)	H(CCCH)	C(CN[6]HH)(CN)(H)2	H(CCCH)	H(CCCH)	108.3140	0.000	1	108.3140	0.000	1	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CN[6a]HH)(CN)(H)2	H(CCCH)	H(CCCH)	C(CN[6a]HH)(CN)(H)2	H(CCCH)	H(CCCH)	107.3135	4.417	4	107.3135	19.511	4	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CP[4]HH)(CN)(H)2	H(CCCH)	H(CCCH)	C(CP[4]HH)(CN)(H)2	H(CCCH)	H(CCCH)	107.5040	0.458	2	107.5040	0.210	2	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	C-4:	C-4:	C(CSiHH)(CN)(H)2	H(CCCH)	H(CCCH)	C(CSiHH)(CN)(H)2	H(CCCH)	H(CCCH)	107.7785	0.087	4	107.7785	0.008	4	107.7843	3.460	516	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:Cl-2:H-1:H-1:	C-4:	C-4:	C(CC[6]CC)(ClPt)(H)2	H(CClCH)	H(CClCH)	C(CC[6]CC)(ClPt)(H)2	H(CClCH)	H(CClCH)	107.6130	0.000	1	107.6130	0.000	1	107.6130	0.000	1	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:Ge-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(GeN)(H)2	H(CGeCH)	H(CGeCH)	C(CCHH)(GeN)(H)2	H(CGeCH)	H(CGeCH)	108.6430	0.000	1	108.6430	0.000	1	108.6025	0.003	2	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:Ge-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(GeN)(H)2	H(CGeCH)	H(CGeCH)	C(CC[6a]HH)(GeN)(H)2	H(CGeCH)	H(CGeCH)	108.5620	0.000	1	108.5620	0.000	1	108.6025	0.003	2	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:H-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(HCl)(H)2	H(CCHH)	H(CCHH)	C(CC[5a]HH)(HCl)(H)2	H(CCHH)	H(CCHH)	109.4810	0.000	1	109.4810	0.000	1	109.4722	0.004	5	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:H-2:H-1:H-1:	C-4:	C-4:	C(CC[6]CC)(HCa)(H)2	H(CCHH)	H(CCHH)	C(CC[6]CC)(HCa)(H)2	H(CCHH)	H(CCHH)	109.4490	0.000	1	109.4490	0.000	1	109.4722	0.004	5	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:H-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(HZr)(H)2	H(CCHH)	H(CCHH)	C(CC[6a]CC)(HZr)(H)2	H(CCHH)	H(CCHH)	109.4230	0.000	1	109.4230	0.000	1	109.4722	0.004	5	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:H-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(HSm)(H)2	H(CCHH)	H(CCHH)	C(CC[6a]CH)(HSm)(H)2	H(CCHH)	H(CCHH)	109.4330	0.000	1	109.4330	0.000	1	109.4722	0.004	5	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:H-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(HYb)(H)2	H(CCHH)	H(CCHH)	C(CC[6a]CH)(HYb)(H)2	H(CCHH)	H(CCHH)	109.5750	0.000	1	109.5750	0.000	1	109.4722	0.004	5	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CC3)(NC)(H)2	H(CCHN)	H(CCHN)	C(CC3)(NC)(H)2	H(CCHN)	H(CCHN)	107.8878	0.367	63	107.8878	0.135	63	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CCCH)(NC)(H)2	H(CCHN)	H(CCHN)	C(CCCH)(NC)(H)2	H(CCHN)	H(CCHN)	108.0012	0.145	4	108.0012	0.021	4	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CCCH)(NS)(H)2	H(CCHN)	H(CCHN)	C(CCCH)(NS)(H)2	H(CCHN)	H(CCHN)	107.8957	0.117	3	107.8957	0.014	3	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CCCN)(NN)(H)2	H(CCHN)	H(CCHN)	C(CCCN)(NN)(H)2	H(CCHN)	H(CCHN)	108.2534	0.238	13	108.2534	0.057	13	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(NC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NC)(H)2	H(CCHN)	H(CCHN)	108.1855	1.792	122	108.1855	3.210	122	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(NH)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NH)(H)2	H(CCHN)	H(CCHN)	107.8473	0.208	3	107.8473	0.043	3	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(NMo)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NMo)(H)2	H(CCHN)	H(CCHN)	109.2850	0.000	1	109.2850	0.000	1	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(NN)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NN)(H)2	H(CCHN)	H(CCHN)	109.2095	2.459	13	109.2095	6.047	13	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(NP)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NP)(H)2	H(CCHN)	H(CCHN)	107.9480	0.000	1	107.9480	0.000	1	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CCHN)(NC)(H)2	H(CCHN)	H(CCHN)	C(CCHN)(NC)(H)2	H(CCHN)	H(CCHN)	107.9381	0.125	15	107.9381	0.016	15	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CCHN)(NN)(H)2	H(CCHN)	H(CCHN)	C(CCHN)(NN)(H)2	H(CCHN)	H(CCHN)	108.1975	0.144	4	108.1975	0.021	4	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CCHN)(NP)(H)2	H(CCHN)	H(CCHN)	C(CCHN)(NP)(H)2	H(CCHN)	H(CCHN)	108.8545	0.111	2	108.8545	0.012	2	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CCHO)(NC)(H)2	H(CCHN)	H(CCHN)	C(CCHO)(NC)(H)2	H(CCHN)	H(CCHN)	108.1318	0.562	18	108.1318	0.316	18	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CCHO)(NPt)(H)2	H(CCHN)	H(CCHN)	C(CCHO)(NPt)(H)2	H(CCHN)	H(CCHN)	107.6920	0.129	2	107.6920	0.017	2	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CC[5,6]HH)(NN)(H)2	H(CCHN)	H(CCHN)	C(CC[5,6]HH)(NN)(H)2	H(CCHN)	H(CCHN)	108.5560	0.000	1	108.5560	0.000	1	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NC)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NC)(H)2	H(CCHN)	H(CCHN)	108.0140	0.013	2	108.0140	0.000	2	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NN)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NN)(H)2	H(CCHN)	H(CCHN)	107.7950	0.000	1	107.7950	0.000	1	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NS)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NS)(H)2	H(CCHN)	H(CCHN)	108.0420	0.000	1	108.0420	0.000	1	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(NC)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]HH)(NC)(H)2	H(CCHN)	H(CCHN)	108.1469	0.262	7	108.1469	0.068	7	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(NC[5])(H)2	H(CCHN)	H(CCHN)	C(CC[5a]HH)(NC[5])(H)2	H(CCHN)	H(CCHN)	107.9570	0.000	1	107.9570	0.000	1	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CC[6]BrC)(NN)(H)2	H(CCHN)	H(CCHN)	C(CC[6]BrC)(NN)(H)2	H(CCHN)	H(CCHN)	108.1880	0.000	1	108.1880	0.000	1	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NC)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NC)(H)2	H(CCHN)	H(CCHN)	107.7910	0.000	1	107.7910	0.000	1	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NN)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NN)(H)2	H(CCHN)	H(CCHN)	108.6875	0.828	2	108.6875	0.686	2	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(NC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CC)(NC)(H)2	H(CCHN)	H(CCHN)	108.0500	0.017	2	108.0500	0.000	2	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]CN)(NN)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CN)(NN)(H)2	H(CCHN)	H(CCHN)	108.2640	0.000	1	108.2640	0.000	1	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(NN)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CO)(NN)(H)2	H(CCHN)	H(CCHN)	109.7865	2.399	2	109.7865	5.756	2	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NC)(H)2	H(CCHN)	H(CCHN)	107.9881	0.908	15	107.9881	0.825	15	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(NP)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HN)(NP)(H)2	H(CCHN)	H(CCHN)	106.0330	0.000	1	106.0330	0.000	1	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(NH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HO)(NH)(H)2	H(CCHN)	H(CCHN)	107.4600	0.000	1	107.4600	0.000	1	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]OP)(NN)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]OP)(NN)(H)2	H(CCHN)	H(CCHN)	108.2795	0.159	2	108.2795	0.025	2	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CClHH)(NC)(H)2	H(CCHN)	H(CCHN)	C(CClHH)(NC)(H)2	H(CCHN)	H(CCHN)	109.4170	0.000	1	109.4170	0.000	1	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CF3)(NC)(H)2	H(CCHN)	H(CCHN)	C(CF3)(NC)(H)2	H(CCHN)	H(CCHN)	108.7870	0.000	1	108.7870	0.000	1	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CH3)(NC)(H)2	H(CCHN)	H(CCHN)	C(CH3)(NC)(H)2	H(CCHN)	H(CCHN)	107.3773	1.979	32	107.3773	3.916	32	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CH3)(NMo)(H)2	H(CCHN)	H(CCHN)	C(CH3)(NMo)(H)2	H(CCHN)	H(CCHN)	108.5370	0.000	2	108.5370	0.000	2	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(NC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NC)(H)2	H(CCHN)	H(CCHN)	108.1808	0.991	235	108.1808	0.982	235	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(NCo)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NCo)(H)2	H(CCHN)	H(CCHN)	108.3100	0.000	1	108.3100	0.000	1	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(NFe)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NFe)(H)2	H(CCHN)	H(CCHN)	108.0900	0.246	2	108.0900	0.061	2	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(NH)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NH)(H)2	H(CCHN)	H(CCHN)	102.5450	10.970	5	102.5450	120.350	5	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(NN)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NN)(H)2	H(CCHN)	H(CCHN)	108.2077	0.941	15	108.2077	0.885	15	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(NNi)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NNi)(H)2	H(CCHN)	H(CCHN)	107.7740	0.000	1	107.7740	0.000	1	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(NP)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NP)(H)2	H(CCHN)	H(CCHN)	105.5997	3.434	3	105.5997	11.793	3	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(NS)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NS)(H)2	H(CCHN)	H(CCHN)	107.9400	0.167	2	107.9400	0.028	2	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CHHO)(NC)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NC)(H)2	H(CCHN)	H(CCHN)	108.5676	1.456	19	108.5676	2.118	19	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CHHO)(NN)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NN)(H)2	H(CCHN)	H(CCHN)	107.9381	0.432	8	107.9381	0.187	8	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CHHP)(NC)(H)2	H(CCHN)	H(CCHN)	C(CHHP)(NC)(H)2	H(CCHN)	H(CCHN)	108.1140	0.000	1	108.1140	0.000	1	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CHHS)(NC)(H)2	H(CCHN)	H(CCHN)	C(CHHS)(NC)(H)2	H(CCHN)	H(CCHN)	108.1833	0.221	4	108.1833	0.049	4	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CN3)(NC)(H)2	H(CCHN)	H(CCHN)	C(CN3)(NC)(H)2	H(CCHN)	H(CCHN)	108.7030	0.000	1	108.7030	0.000	1	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NC)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NC)(H)2	H(CCHN)	H(CCHN)	108.1796	0.172	18	108.1796	0.030	18	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(NC)(H)2	H(CCHN)	H(CCHN)	C(CN[5a]HH)(NC)(H)2	H(CCHN)	H(CCHN)	108.1260	0.000	1	108.1260	0.000	1	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NC)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NC)(H)2	H(CCHN)	H(CCHN)	107.8615	0.377	2	107.8615	0.142	2	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NC[6])(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NC[6])(H)2	H(CCHN)	H(CCHN)	107.9390	0.000	1	107.9390	0.000	1	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NH)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NH)(H)2	H(CCHN)	H(CCHN)	94.8655	0.000	1	94.8655	0.000	1	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CN[6a]HH)(NC)(H)2	H(CCHN)	H(CCHN)	C(CN[6a]HH)(NC)(H)2	H(CCHN)	H(CCHN)	107.7560	0.011	2	107.7560	0.000	2	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	C-4:	C-4:	C(CSeHH)(NC)(H)2	H(CCHN)	H(CCHN)	C(CSeHH)(NC)(H)2	H(CCHN)	H(CCHN)	107.9120	0.000	1	107.9120	0.000	1	108.0583	2.734	664	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CAs[5,5]HH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CAs[5,5]HH)(OH)(H)2	H(CCHO)	H(CCHO)	108.4440	0.000	1	108.4440	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CB[5]C[5]H)(OC)(H)2	H(CCHO)	H(CCHO)	C(CB[5]C[5]H)(OC)(H)2	H(CCHO)	H(CCHO)	112.5760	0.000	1	112.5760	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CBrCH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CBrCH)(OC)(H)2	H(CCHO)	H(CCHO)	108.2995	0.331	6	108.2995	0.110	6	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CBrCH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CBrCH)(OH)(H)2	H(CCHO)	H(CCHO)	108.0002	0.324	5	108.0002	0.105	5	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CBrCH)(OS)(H)2	H(CCHO)	H(CCHO)	C(CBrCH)(OS)(H)2	H(CCHO)	H(CCHO)	108.8290	0.000	1	108.8290	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CBrCH)(OSi)(H)2	H(CCHO)	H(CCHO)	C(CBrCH)(OSi)(H)2	H(CCHO)	H(CCHO)	108.0090	0.000	2	108.0090	0.000	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CBrHH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CBrHH)(OC)(H)2	H(CCHO)	H(CCHO)	110.0044	3.559	13	110.0044	12.669	13	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CBrHH)(OC[6])(H)2	H(CCHO)	H(CCHO)	C(CBrHH)(OC[6])(H)2	H(CCHO)	H(CCHO)	108.4115	0.094	2	108.4115	0.009	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC3)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC3)(OC)(H)2	H(CCHO)	H(CCHO)	108.3130	0.825	52	108.3130	0.680	52	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC3)(OFe)(H)2	H(CCHO)	H(CCHO)	C(CC3)(OFe)(H)2	H(CCHO)	H(CCHO)	107.6695	0.012	2	107.6695	0.000	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC3)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC3)(OH)(H)2	H(CCHO)	H(CCHO)	108.0586	1.049	37	108.0586	1.099	37	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC3)(ON)(H)2	H(CCHO)	H(CCHO)	C(CC3)(ON)(H)2	H(CCHO)	H(CCHO)	108.4177	0.171	3	108.4177	0.029	3	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC3)(OP)(H)2	H(CCHO)	H(CCHO)	C(CC3)(OP)(H)2	H(CCHO)	H(CCHO)	108.1550	0.189	15	108.1550	0.036	15	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC3)(OPd)(H)2	H(CCHO)	H(CCHO)	C(CC3)(OPd)(H)2	H(CCHO)	H(CCHO)	107.8685	0.049	2	107.8685	0.002	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC3)(OS)(H)2	H(CCHO)	H(CCHO)	C(CC3)(OS)(H)2	H(CCHO)	H(CCHO)	108.4860	0.145	24	108.4860	0.021	24	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC3)(OSi)(H)2	H(CCHO)	H(CCHO)	C(CC3)(OSi)(H)2	H(CCHO)	H(CCHO)	108.1825	0.032	2	108.1825	0.001	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCCH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CCCH)(OC)(H)2	H(CCHO)	H(CCHO)	108.3436	0.668	50	108.3436	0.446	50	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCCH)(OFe)(H)2	H(CCHO)	H(CCHO)	C(CCCH)(OFe)(H)2	H(CCHO)	H(CCHO)	108.2240	0.000	1	108.2240	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCCH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CCCH)(OH)(H)2	H(CCHO)	H(CCHO)	107.8626	0.514	47	107.8626	0.264	47	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCCH)(OMo)(H)2	H(CCHO)	H(CCHO)	C(CCCH)(OMo)(H)2	H(CCHO)	H(CCHO)	108.3450	0.000	1	108.3450	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCCH)(ON)(H)2	H(CCHO)	H(CCHO)	C(CCCH)(ON)(H)2	H(CCHO)	H(CCHO)	108.5833	0.571	3	108.5833	0.326	3	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCCH)(OP)(H)2	H(CCHO)	H(CCHO)	C(CCCH)(OP)(H)2	H(CCHO)	H(CCHO)	108.3802	0.171	11	108.3802	0.029	11	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCCH)(OS)(H)2	H(CCHO)	H(CCHO)	C(CCCH)(OS)(H)2	H(CCHO)	H(CCHO)	108.6930	0.440	5	108.6930	0.193	5	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCCH)(OSi)(H)2	H(CCHO)	H(CCHO)	C(CCCH)(OSi)(H)2	H(CCHO)	H(CCHO)	108.0820	0.000	1	108.0820	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCCN)(OC)(H)2	H(CCHO)	H(CCHO)	C(CCCN)(OC)(H)2	H(CCHO)	H(CCHO)	108.4065	0.246	6	108.4065	0.060	6	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCCN)(OCo)(H)2	H(CCHO)	H(CCHO)	C(CCCN)(OCo)(H)2	H(CCHO)	H(CCHO)	108.1955	0.138	2	108.1955	0.019	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCCN)(OH)(H)2	H(CCHO)	H(CCHO)	C(CCCN)(OH)(H)2	H(CCHO)	H(CCHO)	108.1153	0.776	174	108.1153	0.602	174	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCCN)(OMo)(H)2	H(CCHO)	H(CCHO)	C(CCCN)(OMo)(H)2	H(CCHO)	H(CCHO)	108.2880	0.000	1	108.2880	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCCN)(OS)(H)2	H(CCHO)	H(CCHO)	C(CCCN)(OS)(H)2	H(CCHO)	H(CCHO)	108.3430	0.000	1	108.3430	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCCN)(OSn)(H)2	H(CCHO)	H(CCHO)	C(CCCN)(OSn)(H)2	H(CCHO)	H(CCHO)	107.8160	0.295	5	107.8160	0.087	5	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCCN)(OZn)(H)2	H(CCHO)	H(CCHO)	C(CCCN)(OZn)(H)2	H(CCHO)	H(CCHO)	108.1140	0.000	1	108.1140	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCCO)(OC)(H)2	H(CCHO)	H(CCHO)	C(CCCO)(OC)(H)2	H(CCHO)	H(CCHO)	108.9123	0.879	3	108.9123	0.773	3	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCCO)(OH)(H)2	H(CCHO)	H(CCHO)	C(CCCO)(OH)(H)2	H(CCHO)	H(CCHO)	107.8845	0.265	6	107.8845	0.070	6	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCFF)(OC)(H)2	H(CCHO)	H(CCHO)	C(CCFF)(OC)(H)2	H(CCHO)	H(CCHO)	109.2343	0.771	8	109.2343	0.594	8	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCFF)(OH)(H)2	H(CCHO)	H(CCHO)	C(CCFF)(OH)(H)2	H(CCHO)	H(CCHO)	108.1639	0.096	16	108.1639	0.009	16	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCFF)(ON)(H)2	H(CCHO)	H(CCHO)	C(CCFF)(ON)(H)2	H(CCHO)	H(CCHO)	109.0260	0.000	1	109.0260	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCFF)(OP)(H)2	H(CCHO)	H(CCHO)	C(CCFF)(OP)(H)2	H(CCHO)	H(CCHO)	108.2590	0.105	2	108.2590	0.011	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCFH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CCFH)(OC)(H)2	H(CCHO)	H(CCHO)	108.3865	0.375	6	108.3865	0.140	6	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCFH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CCFH)(OH)(H)2	H(CCHO)	H(CCHO)	107.9315	0.047	2	107.9315	0.002	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCFH)(OS)(H)2	H(CCHO)	H(CCHO)	C(CCFH)(OS)(H)2	H(CCHO)	H(CCHO)	108.7680	0.000	1	108.7680	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(OAl)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OAl)(H)2	H(CCHO)	H(CCHO)	107.9155	0.356	2	107.9155	0.127	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(OB)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OB)(H)2	H(CCHO)	H(CCHO)	108.1658	0.180	11	108.1658	0.032	11	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OC)(H)2	H(CCHO)	H(CCHO)	108.4959	1.395	438	108.4959	1.947	438	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(OFe)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OFe)(H)2	H(CCHO)	H(CCHO)	106.9503	2.619	3	106.9503	6.858	3	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OH)(H)2	H(CCHO)	H(CCHO)	108.0183	0.786	275	108.0183	0.618	275	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(OIr)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OIr)(H)2	H(CCHO)	H(CCHO)	109.7700	0.000	1	109.7700	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(OMo)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OMo)(H)2	H(CCHO)	H(CCHO)	107.6675	0.026	2	107.6675	0.001	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(ON)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(ON)(H)2	H(CCHO)	H(CCHO)	108.2178	0.720	34	108.2178	0.518	34	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(OO)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OO)(H)2	H(CCHO)	H(CCHO)	108.2893	0.591	3	108.2893	0.350	3	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(OP)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OP)(H)2	H(CCHO)	H(CCHO)	108.1376	0.654	51	108.1376	0.428	51	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(ORe)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(ORe)(H)2	H(CCHO)	H(CCHO)	107.3960	0.000	1	107.3960	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(ORu)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(ORu)(H)2	H(CCHO)	H(CCHO)	106.5410	0.000	1	106.5410	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(OS)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OS)(H)2	H(CCHO)	H(CCHO)	109.8643	1.909	23	109.8643	3.642	23	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(OSi)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OSi)(H)2	H(CCHO)	H(CCHO)	107.9399	0.890	10	107.9399	0.792	10	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(OSm)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OSm)(H)2	H(CCHO)	H(CCHO)	107.6565	0.339	2	107.6565	0.115	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(OTi)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OTi)(H)2	H(CCHO)	H(CCHO)	107.5960	0.000	1	107.5960	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(OZn)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OZn)(H)2	H(CCHO)	H(CCHO)	107.6520	0.000	1	107.6520	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(OZr)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OZr)(H)2	H(CCHO)	H(CCHO)	108.2720	0.000	1	108.2720	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHI)(OH)(H)2	H(CCHO)	H(CCHO)	C(CCHI)(OH)(H)2	H(CCHO)	H(CCHO)	107.9210	0.000	1	107.9210	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHN)(OC)(H)2	H(CCHO)	H(CCHO)	C(CCHN)(OC)(H)2	H(CCHO)	H(CCHO)	108.1691	0.833	78	108.1691	0.694	78	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHN)(OH)(H)2	H(CCHO)	H(CCHO)	C(CCHN)(OH)(H)2	H(CCHO)	H(CCHO)	108.0948	1.370	249	108.0948	1.876	249	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHN)(OIr)(H)2	H(CCHO)	H(CCHO)	C(CCHN)(OIr)(H)2	H(CCHO)	H(CCHO)	107.6686	0.643	5	107.6686	0.413	5	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHN)(ON)(H)2	H(CCHO)	H(CCHO)	C(CCHN)(ON)(H)2	H(CCHO)	H(CCHO)	107.7910	0.000	1	107.7910	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHN)(OP)(H)2	H(CCHO)	H(CCHO)	C(CCHN)(OP)(H)2	H(CCHO)	H(CCHO)	108.2394	0.697	25	108.2394	0.486	25	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHN)(OS)(H)2	H(CCHO)	H(CCHO)	C(CCHN)(OS)(H)2	H(CCHO)	H(CCHO)	108.4040	0.057	2	108.4040	0.003	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHN)(OSi)(H)2	H(CCHO)	H(CCHO)	C(CCHN)(OSi)(H)2	H(CCHO)	H(CCHO)	108.3119	0.101	8	108.3119	0.010	8	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHN)(OSn)(H)2	H(CCHO)	H(CCHO)	C(CCHN)(OSn)(H)2	H(CCHO)	H(CCHO)	106.6950	0.000	1	106.6950	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHO)(OC)(H)2	H(CCHO)	H(CCHO)	C(CCHO)(OC)(H)2	H(CCHO)	H(CCHO)	108.6427	1.857	100	108.6427	3.449	100	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHO)(OH)(H)2	H(CCHO)	H(CCHO)	C(CCHO)(OH)(H)2	H(CCHO)	H(CCHO)	108.3417	1.424	135	108.3417	2.029	135	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHO)(ON)(H)2	H(CCHO)	H(CCHO)	C(CCHO)(ON)(H)2	H(CCHO)	H(CCHO)	108.8570	0.025	2	108.8570	0.001	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHO)(OP)(H)2	H(CCHO)	H(CCHO)	C(CCHO)(OP)(H)2	H(CCHO)	H(CCHO)	109.7410	1.631	2	109.7410	2.659	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHO)(OSi)(H)2	H(CCHO)	H(CCHO)	C(CCHO)(OSi)(H)2	H(CCHO)	H(CCHO)	108.2922	0.245	5	108.2922	0.060	5	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHP)(OC)(H)2	H(CCHO)	H(CCHO)	C(CCHP)(OC)(H)2	H(CCHO)	H(CCHO)	108.4713	0.092	3	108.4713	0.008	3	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCHP)(OH)(H)2	H(CCHO)	H(CCHO)	C(CCHP)(OH)(H)2	H(CCHO)	H(CCHO)	108.2100	0.373	2	108.2100	0.139	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCNN)(OC)(H)2	H(CCHO)	H(CCHO)	C(CCNN)(OC)(H)2	H(CCHO)	H(CCHO)	111.1574	1.521	7	111.1574	2.314	7	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCOO)(OP)(H)2	H(CCHO)	H(CCHO)	C(CCOO)(OP)(H)2	H(CCHO)	H(CCHO)	107.8330	0.000	1	107.8330	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[3,5]HH)(OS)(H)2	H(CCHO)	H(CCHO)	C(CC[3,5]HH)(OS)(H)2	H(CCHO)	H(CCHO)	107.4730	0.000	1	107.4730	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[3,5]HO)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[3,5]HO)(OC)(H)2	H(CCHO)	H(CCHO)	108.5760	0.000	1	108.5760	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[3]CC)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[3]CC)(OH)(H)2	H(CCHO)	H(CCHO)	107.9965	0.316	2	107.9965	0.100	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[3]CH)(OSi)(H)2	H(CCHO)	H(CCHO)	C(CC[3]CH)(OSi)(H)2	H(CCHO)	H(CCHO)	108.0990	0.000	1	108.0990	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[3]HH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[3]HH)(OC)(H)2	H(CCHO)	H(CCHO)	110.2303	3.367	6	110.2303	11.337	6	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[3]HH)(OS)(H)2	H(CCHO)	H(CCHO)	C(CC[3]HH)(OS)(H)2	H(CCHO)	H(CCHO)	109.2240	1.838	2	109.2240	3.380	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[3]HO)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[3]HO)(OC)(H)2	H(CCHO)	H(CCHO)	108.4620	0.000	1	108.4620	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[3x3,3x5,12x6]HH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[3x3,3x5,12x6]HH)(OC)(H)2	H(CCHO)	H(CCHO)	107.9750	0.000	1	107.9750	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[3x3,3x5,12x6]HH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[3x3,3x5,12x6]HH)(OH)(H)2	H(CCHO)	H(CCHO)	108.2580	0.000	1	108.2580	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[3x6]HH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[3x6]HH)(OC)(H)2	H(CCHO)	H(CCHO)	108.2800	0.000	1	108.2800	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[3x6]HH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[3x6]HH)(OH)(H)2	H(CCHO)	H(CCHO)	108.2880	0.000	1	108.2880	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[4,5]HH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[4,5]HH)(OH)(H)2	H(CCHO)	H(CCHO)	107.8540	0.000	1	107.8540	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[4,5]HO)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[4,5]HO)(OH)(H)2	H(CCHO)	H(CCHO)	108.1190	0.091	2	108.1190	0.008	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[4]HH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[4]HH)(OC)(H)2	H(CCHO)	H(CCHO)	108.3690	0.000	1	108.3690	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[4]HN)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[4]HN)(OC)(H)2	H(CCHO)	H(CCHO)	107.1640	0.000	1	107.1640	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[4]HO)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[4]HO)(OH)(H)2	H(CCHO)	H(CCHO)	106.9200	0.000	1	106.9200	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5,5]C[6a]H)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[5,5]C[6a]H)(OH)(H)2	H(CCHO)	H(CCHO)	107.9890	0.000	1	107.9890	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5,5]HH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[5,5]HH)(OH)(H)2	H(CCHO)	H(CCHO)	107.5890	0.000	1	107.5890	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5,5]HH)(OS)(H)2	H(CCHO)	H(CCHO)	C(CC[5,5]HH)(OS)(H)2	H(CCHO)	H(CCHO)	108.5300	0.000	1	108.5300	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5,6]CO)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[5,6]CO)(OH)(H)2	H(CCHO)	H(CCHO)	107.8655	0.418	2	107.8655	0.175	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5,6]HH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[5,6]HH)(OC)(H)2	H(CCHO)	H(CCHO)	109.4220	1.143	2	109.4220	1.306	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5,6]HH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[5,6]HH)(OH)(H)2	H(CCHO)	H(CCHO)	108.2680	0.000	1	108.2680	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5,6]HO)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[5,6]HO)(OC)(H)2	H(CCHO)	H(CCHO)	107.6130	0.000	1	107.6130	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5,6]HO)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[5,6]HO)(OH)(H)2	H(CCHO)	H(CCHO)	108.2967	0.081	3	108.2967	0.007	3	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]Br2)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[5]Br2)(OC)(H)2	H(CCHO)	H(CCHO)	108.2480	0.000	1	108.2480	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]CC)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[5]CC)(OH)(H)2	H(CCHO)	H(CCHO)	107.7120	0.000	1	107.7120	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[5]CH)(OC)(H)2	H(CCHO)	H(CCHO)	109.3403	1.871	9	109.3403	3.502	9	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[5]CH)(OH)(H)2	H(CCHO)	H(CCHO)	107.9605	0.188	13	107.9605	0.035	13	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(OS)(H)2	H(CCHO)	H(CCHO)	C(CC[5]CH)(OS)(H)2	H(CCHO)	H(CCHO)	106.9330	0.000	1	106.9330	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]CN)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[5]CN)(OC)(H)2	H(CCHO)	H(CCHO)	108.4050	0.000	1	108.4050	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]CO)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[5]CO)(OC)(H)2	H(CCHO)	H(CCHO)	108.3955	0.062	2	108.3955	0.004	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]CO)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[5]CO)(OH)(H)2	H(CCHO)	H(CCHO)	107.9820	0.306	6	107.9820	0.093	6	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]ClH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[5]ClH)(OC)(H)2	H(CCHO)	H(CCHO)	108.3950	0.000	1	108.3950	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[5]HH)(OC)(H)2	H(CCHO)	H(CCHO)	108.4310	0.748	39	108.4310	0.560	39	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[5]HH)(OH)(H)2	H(CCHO)	H(CCHO)	107.8015	1.399	28	107.8015	1.957	28	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(OP)(H)2	H(CCHO)	H(CCHO)	C(CC[5]HH)(OP)(H)2	H(CCHO)	H(CCHO)	108.3310	0.170	4	108.3310	0.029	4	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(OS)(H)2	H(CCHO)	H(CCHO)	C(CC[5]HH)(OS)(H)2	H(CCHO)	H(CCHO)	107.9307	0.386	3	107.9307	0.149	3	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(OSi)(H)2	H(CCHO)	H(CCHO)	C(CC[5]HH)(OSi)(H)2	H(CCHO)	H(CCHO)	108.3639	0.730	13	108.3639	0.533	13	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]HN)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[5]HN)(OC)(H)2	H(CCHO)	H(CCHO)	108.3940	0.204	2	108.3940	0.041	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]HN)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[5]HN)(OH)(H)2	H(CCHO)	H(CCHO)	108.2757	0.661	6	108.2757	0.437	6	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]HN)(OSi)(H)2	H(CCHO)	H(CCHO)	C(CC[5]HN)(OSi)(H)2	H(CCHO)	H(CCHO)	109.3410	0.000	1	109.3410	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]HO)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[5]HO)(OC)(H)2	H(CCHO)	H(CCHO)	107.7328	2.551	15	107.7328	6.508	15	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]HO)(OC[5])(H)2	H(CCHO)	H(CCHO)	C(CC[5]HO)(OC[5])(H)2	H(CCHO)	H(CCHO)	107.7320	0.000	1	107.7320	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]HO)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[5]HO)(OH)(H)2	H(CCHO)	H(CCHO)	108.1413	1.927	52	108.1413	3.712	52	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]HO)(ON[6])(H)2	H(CCHO)	H(CCHO)	C(CC[5]HO)(ON[6])(H)2	H(CCHO)	H(CCHO)	108.9500	0.000	1	108.9500	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]HO)(OS)(H)2	H(CCHO)	H(CCHO)	C(CC[5]HO)(OS)(H)2	H(CCHO)	H(CCHO)	113.6220	1.534	2	113.6220	2.354	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5]HO)(OSi)(H)2	H(CCHO)	H(CCHO)	C(CC[5]HO)(OSi)(H)2	H(CCHO)	H(CCHO)	108.0650	0.054	2	108.0650	0.003	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]2C)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[5a]2C)(OC)(H)2	H(CCHO)	H(CCHO)	108.4000	0.000	1	108.4000	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]CC)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[5a]CC)(OH)(H)2	H(CCHO)	H(CCHO)	107.8050	0.000	1	107.8050	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]CH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[5a]CH)(OC)(H)2	H(CCHO)	H(CCHO)	108.3520	0.248	3	108.3520	0.061	3	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]CH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[5a]CH)(OH)(H)2	H(CCHO)	H(CCHO)	107.7820	0.000	1	107.7820	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]CH)(OS)(H)2	H(CCHO)	H(CCHO)	C(CC[5a]CH)(OS)(H)2	H(CCHO)	H(CCHO)	108.5550	0.000	1	108.5550	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]H)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[5a]C[6a]H)(OC)(H)2	H(CCHO)	H(CCHO)	107.6950	0.007	2	107.6950	0.000	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]H)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[5a]C[6a]H)(OH)(H)2	H(CCHO)	H(CCHO)	107.6450	0.000	1	107.6450	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]N)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[5a]C[6a]N)(OH)(H)2	H(CCHO)	H(CCHO)	107.4960	0.000	1	107.4960	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[5a]HH)(OC)(H)2	H(CCHO)	H(CCHO)	108.5390	0.000	1	108.5390	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(OC[6a])(H)2	H(CCHO)	H(CCHO)	C(CC[5a]HH)(OC[6a])(H)2	H(CCHO)	H(CCHO)	108.5050	0.000	1	108.5050	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[5a]HH)(OH)(H)2	H(CCHO)	H(CCHO)	108.0050	0.150	7	108.0050	0.023	7	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(OS)(H)2	H(CCHO)	H(CCHO)	C(CC[5a]HH)(OS)(H)2	H(CCHO)	H(CCHO)	108.4980	0.192	2	108.4980	0.037	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(OSi)(H)2	H(CCHO)	H(CCHO)	C(CC[5a]HH)(OSi)(H)2	H(CCHO)	H(CCHO)	108.2010	0.000	1	108.2010	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]HO)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[5a]HO)(OC)(H)2	H(CCHO)	H(CCHO)	108.3460	0.000	1	108.3460	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6,6]HH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[6,6]HH)(OC)(H)2	H(CCHO)	H(CCHO)	107.6935	1.134	4	107.6935	1.286	4	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6,6]HH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[6,6]HH)(OH)(H)2	H(CCHO)	H(CCHO)	108.4790	0.871	3	108.4790	0.758	3	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6]CC)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[6]CC)(OC)(H)2	H(CCHO)	H(CCHO)	108.9360	0.925	3	108.9360	0.855	3	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6]CH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[6]CH)(OC)(H)2	H(CCHO)	H(CCHO)	108.3684	0.198	13	108.3684	0.039	13	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6]CH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[6]CH)(OH)(H)2	H(CCHO)	H(CCHO)	107.1942	2.624	13	107.1942	6.887	13	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6]CH)(OS)(H)2	H(CCHO)	H(CCHO)	C(CC[6]CH)(OS)(H)2	H(CCHO)	H(CCHO)	108.1793	0.193	3	108.1793	0.037	3	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6]CH)(OSi)(H)2	H(CCHO)	H(CCHO)	C(CC[6]CH)(OSi)(H)2	H(CCHO)	H(CCHO)	108.4560	0.000	1	108.4560	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6]CO)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[6]CO)(OH)(H)2	H(CCHO)	H(CCHO)	107.5200	0.000	1	107.5200	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[6]HH)(OC)(H)2	H(CCHO)	H(CCHO)	108.6632	0.777	30	108.6632	0.603	30	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(OC[6])(H)2	H(CCHO)	H(CCHO)	C(CC[6]HH)(OC[6])(H)2	H(CCHO)	H(CCHO)	108.0835	0.213	4	108.0835	0.045	4	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(OC[6a])(H)2	H(CCHO)	H(CCHO)	C(CC[6]HH)(OC[6a])(H)2	H(CCHO)	H(CCHO)	108.8820	0.437	3	108.8820	0.191	3	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[6]HH)(OH)(H)2	H(CCHO)	H(CCHO)	108.2779	1.330	23	108.2779	1.769	23	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(ONi)(H)2	H(CCHO)	H(CCHO)	C(CC[6]HH)(ONi)(H)2	H(CCHO)	H(CCHO)	108.0330	0.000	1	108.0330	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(OP)(H)2	H(CCHO)	H(CCHO)	C(CC[6]HH)(OP)(H)2	H(CCHO)	H(CCHO)	108.2157	0.244	3	108.2157	0.060	3	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(OS)(H)2	H(CCHO)	H(CCHO)	C(CC[6]HH)(OS)(H)2	H(CCHO)	H(CCHO)	108.3900	0.438	4	108.3900	0.192	4	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(OSi)(H)2	H(CCHO)	H(CCHO)	C(CC[6]HH)(OSi)(H)2	H(CCHO)	H(CCHO)	108.5320	0.358	4	108.5320	0.128	4	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6]HN)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[6]HN)(OH)(H)2	H(CCHO)	H(CCHO)	108.3270	0.099	2	108.3270	0.010	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6]HO)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[6]HO)(OC)(H)2	H(CCHO)	H(CCHO)	108.5448	0.451	6	108.5448	0.204	6	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6]HO)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[6]HO)(OH)(H)2	H(CCHO)	H(CCHO)	108.0404	0.206	20	108.0404	0.042	20	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6]HO)(OP)(H)2	H(CCHO)	H(CCHO)	C(CC[6]HO)(OP)(H)2	H(CCHO)	H(CCHO)	107.9048	0.153	5	107.9048	0.023	5	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6]HO)(OS)(H)2	H(CCHO)	H(CCHO)	C(CC[6]HO)(OS)(H)2	H(CCHO)	H(CCHO)	108.3750	0.000	1	108.3750	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6]HO)(OSi)(H)2	H(CCHO)	H(CCHO)	C(CC[6]HO)(OSi)(H)2	H(CCHO)	H(CCHO)	109.0905	1.685	2	109.0905	2.839	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]2C)(OB)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]2C)(OB)(H)2	H(CCHO)	H(CCHO)	107.7070	0.000	1	107.7070	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]2S)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]2S)(OC)(H)2	H(CCHO)	H(CCHO)	107.9580	0.000	1	107.9580	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]3)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]3)(OH)(H)2	H(CCHO)	H(CCHO)	109.2480	0.731	2	109.2480	0.535	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]CC)(OC)(H)2	H(CCHO)	H(CCHO)	108.2485	0.026	4	108.2485	0.001	4	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]CC)(OH)(H)2	H(CCHO)	H(CCHO)	107.7290	0.000	1	107.7290	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(ON)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]CC)(ON)(H)2	H(CCHO)	H(CCHO)	108.6630	0.000	1	108.6630	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(OS)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]CC)(OS)(H)2	H(CCHO)	H(CCHO)	108.4930	0.187	2	108.4930	0.035	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]CF)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]CF)(OH)(H)2	H(CCHO)	H(CCHO)	107.8690	0.221	2	107.8690	0.049	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]CH)(OC)(H)2	H(CCHO)	H(CCHO)	108.4312	0.386	5	108.4312	0.149	5	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]CH)(OH)(H)2	H(CCHO)	H(CCHO)	108.1637	0.381	13	108.1637	0.145	13	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(OS)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]CH)(OS)(H)2	H(CCHO)	H(CCHO)	108.3470	0.000	1	108.3470	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]CN)(OS)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]CN)(OS)(H)2	H(CCHO)	H(CCHO)	109.6020	0.000	1	109.6020	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]CO)(OC)(H)2	H(CCHO)	H(CCHO)	109.2465	1.459	4	109.2465	2.129	4	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]CO)(OH)(H)2	H(CCHO)	H(CCHO)	107.1454	1.648	7	107.1454	2.716	7	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(ON)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]CO)(ON)(H)2	H(CCHO)	H(CCHO)	107.5960	0.000	1	107.5960	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(OS)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]CO)(OS)(H)2	H(CCHO)	H(CCHO)	108.4760	0.000	1	108.4760	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[3]H)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]C[3]H)(OC)(H)2	H(CCHO)	H(CCHO)	107.9615	0.076	4	107.9615	0.006	4	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5]H)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]C[5]H)(OC)(H)2	H(CCHO)	H(CCHO)	109.0180	0.000	1	109.0180	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5]H)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]C[5]H)(OH)(H)2	H(CCHO)	H(CCHO)	108.3690	0.000	1	108.3690	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]HH)(OC)(H)2	H(CCHO)	H(CCHO)	108.1055	1.483	11	108.1055	2.198	11	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(OC[6])(H)2	H(CCHO)	H(CCHO)	C(CC[6a]HH)(OC[6])(H)2	H(CCHO)	H(CCHO)	107.5990	0.000	1	107.5990	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(OC[6a])(H)2	H(CCHO)	H(CCHO)	C(CC[6a]HH)(OC[6a])(H)2	H(CCHO)	H(CCHO)	108.6089	0.980	16	108.6089	0.959	16	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]HH)(OH)(H)2	H(CCHO)	H(CCHO)	108.2351	0.569	19	108.2351	0.323	19	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(ONi)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]HH)(ONi)(H)2	H(CCHO)	H(CCHO)	107.9120	0.000	1	107.9120	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(OP)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]HH)(OP)(H)2	H(CCHO)	H(CCHO)	108.4203	0.053	3	108.4203	0.003	3	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(OS)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]HH)(OS)(H)2	H(CCHO)	H(CCHO)	108.4420	0.000	1	108.4420	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(OB)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]HN)(OB)(H)2	H(CCHO)	H(CCHO)	108.1430	0.000	1	108.1430	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]HN)(OC)(H)2	H(CCHO)	H(CCHO)	108.2506	0.823	10	108.2506	0.678	10	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(OC[3])(H)2	H(CCHO)	H(CCHO)	C(CC[6a]HN)(OC[3])(H)2	H(CCHO)	H(CCHO)	111.1210	0.000	1	111.1210	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]HN)(OH)(H)2	H(CCHO)	H(CCHO)	107.9392	1.037	37	107.9392	1.074	37	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(OSi)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]HN)(OSi)(H)2	H(CCHO)	H(CCHO)	108.4400	0.000	1	108.4400	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]HO)(OC)(H)2	H(CCHO)	H(CCHO)	108.3252	0.364	13	108.3252	0.132	13	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(OC[6a])(H)2	H(CCHO)	H(CCHO)	C(CC[6a]HO)(OC[6a])(H)2	H(CCHO)	H(CCHO)	108.1098	0.512	5	108.1098	0.263	5	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]HO)(OH)(H)2	H(CCHO)	H(CCHO)	107.8280	0.442	3	107.8280	0.195	3	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(ON[5])(H)2	H(CCHO)	H(CCHO)	C(CC[6a]HO)(ON[5])(H)2	H(CCHO)	H(CCHO)	108.2660	0.000	1	108.2660	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HS)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]HS)(OC)(H)2	H(CCHO)	H(CCHO)	108.4580	0.000	1	108.4580	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HS)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]HS)(OH)(H)2	H(CCHO)	H(CCHO)	108.0500	0.000	1	108.0500	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[4]H)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]N[4]H)(OC)(H)2	H(CCHO)	H(CCHO)	108.2140	0.000	1	108.2140	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[5]H)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]N[5]H)(OC)(H)2	H(CCHO)	H(CCHO)	108.4862	0.363	5	108.4862	0.132	5	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[5]H)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]N[5]H)(OH)(H)2	H(CCHO)	H(CCHO)	108.2973	0.631	6	108.2973	0.398	6	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[5a]H)(OS)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]N[5a]H)(OS)(H)2	H(CCHO)	H(CCHO)	108.5960	0.000	1	108.5960	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[6]H)(OC)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]N[6]H)(OC)(H)2	H(CCHO)	H(CCHO)	108.6060	0.000	1	108.6060	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[6]H)(OH)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]N[6]H)(OH)(H)2	H(CCHO)	H(CCHO)	108.1467	0.260	4	108.1467	0.067	4	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCl3)(OC)(H)2	H(CCHO)	H(CCHO)	C(CCl3)(OC)(H)2	H(CCHO)	H(CCHO)	109.4124	1.763	19	109.4124	3.109	19	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCl3)(OS)(H)2	H(CCHO)	H(CCHO)	C(CCl3)(OS)(H)2	H(CCHO)	H(CCHO)	109.1948	1.834	24	109.1948	3.363	24	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CClCC)(OC)(H)2	H(CCHO)	H(CCHO)	C(CClCC)(OC)(H)2	H(CCHO)	H(CCHO)	108.2320	0.181	2	108.2320	0.033	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CClCC)(OH)(H)2	H(CCHO)	H(CCHO)	C(CClCC)(OH)(H)2	H(CCHO)	H(CCHO)	107.7245	0.103	2	107.7245	0.011	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CClCH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CClCH)(OC)(H)2	H(CCHO)	H(CCHO)	108.3329	0.151	11	108.3329	0.023	11	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CClCH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CClCH)(OH)(H)2	H(CCHO)	H(CCHO)	108.4753	0.803	9	108.4753	0.645	9	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CClHH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CClHH)(OC)(H)2	H(CCHO)	H(CCHO)	108.6977	0.760	12	108.6977	0.577	12	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CClHH)(OC[5])(H)2	H(CCHO)	H(CCHO)	C(CClHH)(OC[5])(H)2	H(CCHO)	H(CCHO)	108.9540	0.000	1	108.9540	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CClHH)(OC[6])(H)2	H(CCHO)	H(CCHO)	C(CClHH)(OC[6])(H)2	H(CCHO)	H(CCHO)	108.7570	0.823	2	108.7570	0.677	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CClHH)(OP)(H)2	H(CCHO)	H(CCHO)	C(CClHH)(OP)(H)2	H(CCHO)	H(CCHO)	108.2675	0.184	8	108.2675	0.034	8	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CClHH)(OS)(H)2	H(CCHO)	H(CCHO)	C(CClHH)(OS)(H)2	H(CCHO)	H(CCHO)	108.6770	0.000	1	108.6770	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCo2C)(OC)(H)2	H(CCHO)	H(CCHO)	C(CCo2C)(OC)(H)2	H(CCHO)	H(CCHO)	108.2914	0.215	11	108.2914	0.046	11	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCo2C)(OH)(H)2	H(CCHO)	H(CCHO)	C(CCo2C)(OH)(H)2	H(CCHO)	H(CCHO)	108.0360	0.000	1	108.0360	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCoCH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CCoCH)(OC)(H)2	H(CCHO)	H(CCHO)	107.4945	0.060	2	107.4945	0.004	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CCoCH)(OP)(H)2	H(CCHO)	H(CCHO)	C(CCoCH)(OP)(H)2	H(CCHO)	H(CCHO)	108.2060	0.535	6	108.2060	0.286	6	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CF3)(OB)(H)2	H(CCHO)	H(CCHO)	C(CF3)(OB)(H)2	H(CCHO)	H(CCHO)	108.1557	0.109	6	108.1557	0.012	6	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CF3)(OC)(H)2	H(CCHO)	H(CCHO)	C(CF3)(OC)(H)2	H(CCHO)	H(CCHO)	108.6656	0.744	32	108.6656	0.554	32	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CF3)(OH)(H)2	H(CCHO)	H(CCHO)	C(CF3)(OH)(H)2	H(CCHO)	H(CCHO)	108.5438	1.782	20	108.5438	3.177	20	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CF3)(OP)(H)2	H(CCHO)	H(CCHO)	C(CF3)(OP)(H)2	H(CCHO)	H(CCHO)	108.4793	0.243	83	108.4793	0.059	83	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CF3)(ORu)(H)2	H(CCHO)	H(CCHO)	C(CF3)(ORu)(H)2	H(CCHO)	H(CCHO)	107.8870	0.000	1	107.8870	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CF3)(OS)(H)2	H(CCHO)	H(CCHO)	C(CF3)(OS)(H)2	H(CCHO)	H(CCHO)	108.2735	0.073	2	108.2735	0.005	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CFFH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CFFH)(OC)(H)2	H(CCHO)	H(CCHO)	108.4676	0.301	9	108.4676	0.090	9	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CFFH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CFFH)(OH)(H)2	H(CCHO)	H(CCHO)	108.2443	0.251	3	108.2443	0.063	3	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CFFO)(OH)(H)2	H(CCHO)	H(CCHO)	C(CFFO)(OH)(H)2	H(CCHO)	H(CCHO)	108.1075	0.077	2	108.1075	0.006	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CFHH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CFHH)(OC)(H)2	H(CCHO)	H(CCHO)	107.9105	0.657	2	107.9105	0.432	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CFHH)(OPd)(H)2	H(CCHO)	H(CCHO)	C(CFHH)(OPd)(H)2	H(CCHO)	H(CCHO)	108.3510	0.000	1	108.3510	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CFNN)(OC)(H)2	H(CCHO)	H(CCHO)	C(CFNN)(OC)(H)2	H(CCHO)	H(CCHO)	110.2687	2.872	3	110.2687	8.250	3	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CFeCC)(OP)(H)2	H(CCHO)	H(CCHO)	C(CFeCC)(OP)(H)2	H(CCHO)	H(CCHO)	107.9237	0.086	4	107.9237	0.007	4	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CH3)(OAl)(H)2	H(CCHO)	H(CCHO)	C(CH3)(OAl)(H)2	H(CCHO)	H(CCHO)	107.9725	0.254	2	107.9725	0.064	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CH3)(OB)(H)2	H(CCHO)	H(CCHO)	C(CH3)(OB)(H)2	H(CCHO)	H(CCHO)	108.3383	0.168	3	108.3383	0.028	3	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CH3)(OC)(H)2	H(CCHO)	H(CCHO)	C(CH3)(OC)(H)2	H(CCHO)	H(CCHO)	108.4170	1.250	7672	108.4170	1.562	7672	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CH3)(OCa)(H)2	H(CCHO)	H(CCHO)	C(CH3)(OCa)(H)2	H(CCHO)	H(CCHO)	109.3440	0.000	1	109.3440	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CH3)(OCu)(H)2	H(CCHO)	H(CCHO)	C(CH3)(OCu)(H)2	H(CCHO)	H(CCHO)	107.4473	0.692	3	107.4473	0.479	3	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CH3)(OFe)(H)2	H(CCHO)	H(CCHO)	C(CH3)(OFe)(H)2	H(CCHO)	H(CCHO)	108.0780	0.153	2	108.0780	0.023	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CH3)(OH)(H)2	H(CCHO)	H(CCHO)	C(CH3)(OH)(H)2	H(CCHO)	H(CCHO)	107.8878	1.318	901	107.8878	1.736	901	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CH3)(OMn)(H)2	H(CCHO)	H(CCHO)	C(CH3)(OMn)(H)2	H(CCHO)	H(CCHO)	106.9695	1.457	2	106.9695	2.124	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CH3)(OMo)(H)2	H(CCHO)	H(CCHO)	C(CH3)(OMo)(H)2	H(CCHO)	H(CCHO)	109.6870	2.226	2	109.6870	4.955	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CH3)(ON)(H)2	H(CCHO)	H(CCHO)	C(CH3)(ON)(H)2	H(CCHO)	H(CCHO)	108.4130	0.348	9	108.4130	0.121	9	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CH3)(ONb)(H)2	H(CCHO)	H(CCHO)	C(CH3)(ONb)(H)2	H(CCHO)	H(CCHO)	107.8510	0.000	1	107.8510	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CH3)(ONi)(H)2	H(CCHO)	H(CCHO)	C(CH3)(ONi)(H)2	H(CCHO)	H(CCHO)	106.9780	3.117	4	106.9780	9.717	4	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CH3)(OO)(H)2	H(CCHO)	H(CCHO)	C(CH3)(OO)(H)2	H(CCHO)	H(CCHO)	108.6757	0.397	3	108.6757	0.157	3	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CH3)(OP)(H)2	H(CCHO)	H(CCHO)	C(CH3)(OP)(H)2	H(CCHO)	H(CCHO)	108.2075	0.903	790	108.2075	0.815	790	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CH3)(OPt)(H)2	H(CCHO)	H(CCHO)	C(CH3)(OPt)(H)2	H(CCHO)	H(CCHO)	108.1510	0.000	1	108.1510	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CH3)(ORe)(H)2	H(CCHO)	H(CCHO)	C(CH3)(ORe)(H)2	H(CCHO)	H(CCHO)	107.7357	0.517	3	107.7357	0.268	3	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CH3)(ORu)(H)2	H(CCHO)	H(CCHO)	C(CH3)(ORu)(H)2	H(CCHO)	H(CCHO)	108.5260	0.000	1	108.5260	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CH3)(OS)(H)2	H(CCHO)	H(CCHO)	C(CH3)(OS)(H)2	H(CCHO)	H(CCHO)	106.3376	5.137	10	106.3376	26.392	10	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CH3)(OSb)(H)2	H(CCHO)	H(CCHO)	C(CH3)(OSb)(H)2	H(CCHO)	H(CCHO)	107.6422	4.618	11	107.6422	21.328	11	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CH3)(OSi)(H)2	H(CCHO)	H(CCHO)	C(CH3)(OSi)(H)2	H(CCHO)	H(CCHO)	108.3179	0.417	16	108.3179	0.174	16	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CH3)(OSn)(H)2	H(CCHO)	H(CCHO)	C(CH3)(OSn)(H)2	H(CCHO)	H(CCHO)	108.5695	0.556	12	108.5695	0.309	12	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CH3)(OTi)(H)2	H(CCHO)	H(CCHO)	C(CH3)(OTi)(H)2	H(CCHO)	H(CCHO)	108.0610	0.000	1	108.0610	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CH3)(OV)(H)2	H(CCHO)	H(CCHO)	C(CH3)(OV)(H)2	H(CCHO)	H(CCHO)	107.8740	0.000	1	107.8740	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CH3)(OZn)(H)2	H(CCHO)	H(CCHO)	C(CH3)(OZn)(H)2	H(CCHO)	H(CCHO)	108.2195	0.561	2	108.2195	0.314	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHI)(OC)(H)2	H(CCHO)	H(CCHO)	C(CHHI)(OC)(H)2	H(CCHO)	H(CCHO)	107.8670	0.304	3	107.8670	0.093	3	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(OAl)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OAl)(H)2	H(CCHO)	H(CCHO)	108.2123	0.081	6	108.2123	0.007	6	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(OC)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OC)(H)2	H(CCHO)	H(CCHO)	108.2999	1.463	409	108.2999	2.140	409	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(OCo)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OCo)(H)2	H(CCHO)	H(CCHO)	108.6110	0.116	2	108.6110	0.013	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(OCu)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OCu)(H)2	H(CCHO)	H(CCHO)	108.0280	0.000	1	108.0280	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(OFe)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OFe)(H)2	H(CCHO)	H(CCHO)	108.6841	0.648	8	108.6841	0.420	8	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(OGe)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OGe)(H)2	H(CCHO)	H(CCHO)	111.4789	4.272	16	111.4789	18.253	16	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(OH)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OH)(H)2	H(CCHO)	H(CCHO)	108.0682	0.872	367	108.0682	0.761	367	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(OMo)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OMo)(H)2	H(CCHO)	H(CCHO)	108.4285	0.030	2	108.4285	0.001	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(ON)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(ON)(H)2	H(CCHO)	H(CCHO)	108.1972	0.563	5	108.1972	0.316	5	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(ONi)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(ONi)(H)2	H(CCHO)	H(CCHO)	108.2820	0.389	2	108.2820	0.151	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(OP)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OP)(H)2	H(CCHO)	H(CCHO)	108.5745	2.696	17	108.5745	7.266	17	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(OPd)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OPd)(H)2	H(CCHO)	H(CCHO)	108.3320	0.000	1	108.3320	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(OS)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OS)(H)2	H(CCHO)	H(CCHO)	108.6409	0.207	8	108.6409	0.043	8	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(OSi)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OSi)(H)2	H(CCHO)	H(CCHO)	108.1534	0.789	52	108.1534	0.622	52	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(OSn)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OSn)(H)2	H(CCHO)	H(CCHO)	107.9076	0.181	8	107.9076	0.033	8	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(OZn)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OZn)(H)2	H(CCHO)	H(CCHO)	108.5375	0.393	4	108.5375	0.154	4	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHO)(OC)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OC)(H)2	H(CCHO)	H(CCHO)	108.2663	1.368	4680	108.2663	1.873	4680	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHO)(OCa)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OCa)(H)2	H(CCHO)	H(CCHO)	97.2027	1.202	2	97.2027	1.445	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHO)(OGa)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OGa)(H)2	H(CCHO)	H(CCHO)	108.1600	0.000	1	108.1600	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHO)(OH)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OH)(H)2	H(CCHO)	H(CCHO)	108.1642	1.699	147	108.1642	2.888	147	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHO)(ON)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(ON)(H)2	H(CCHO)	H(CCHO)	107.8142	0.274	77	107.8142	0.075	77	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHO)(OP)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OP)(H)2	H(CCHO)	H(CCHO)	107.9739	0.397	31	107.9739	0.158	31	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHO)(OPt)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OPt)(H)2	H(CCHO)	H(CCHO)	108.1935	0.094	2	108.1935	0.009	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHO)(ORu)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(ORu)(H)2	H(CCHO)	H(CCHO)	107.5340	0.000	1	107.5340	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHO)(OS)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OS)(H)2	H(CCHO)	H(CCHO)	108.7405	0.645	6	108.7405	0.416	6	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHO)(OSi)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OSi)(H)2	H(CCHO)	H(CCHO)	108.2065	0.033	2	108.2065	0.001	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHP)(OC)(H)2	H(CCHO)	H(CCHO)	C(CHHP)(OC)(H)2	H(CCHO)	H(CCHO)	108.2728	1.567	29	108.2728	2.455	29	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHP)(OH)(H)2	H(CCHO)	H(CCHO)	C(CHHP)(OH)(H)2	H(CCHO)	H(CCHO)	107.8350	0.334	4	107.8350	0.112	4	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHP)(OP)(H)2	H(CCHO)	H(CCHO)	C(CHHP)(OP)(H)2	H(CCHO)	H(CCHO)	107.7760	0.000	1	107.7760	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHS)(OB)(H)2	H(CCHO)	H(CCHO)	C(CHHS)(OB)(H)2	H(CCHO)	H(CCHO)	108.0600	0.000	1	108.0600	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHS)(OC)(H)2	H(CCHO)	H(CCHO)	C(CHHS)(OC)(H)2	H(CCHO)	H(CCHO)	108.3451	0.609	253	108.3451	0.371	253	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHS)(OH)(H)2	H(CCHO)	H(CCHO)	C(CHHS)(OH)(H)2	H(CCHO)	H(CCHO)	108.2843	0.579	16	108.2843	0.335	16	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHHS)(OP)(H)2	H(CCHO)	H(CCHO)	C(CHHS)(OP)(H)2	H(CCHO)	H(CCHO)	108.1055	0.341	14	108.1055	0.116	14	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHNN)(OH)(H)2	H(CCHO)	H(CCHO)	C(CHNN)(OH)(H)2	H(CCHO)	H(CCHO)	107.9520	0.000	1	107.9520	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHOO)(OC)(H)2	H(CCHO)	H(CCHO)	C(CHOO)(OC)(H)2	H(CCHO)	H(CCHO)	108.8060	0.000	1	108.8060	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CHSS)(OC)(H)2	H(CCHO)	H(CCHO)	C(CHSS)(OC)(H)2	H(CCHO)	H(CCHO)	110.6165	3.270	2	110.6165	10.695	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CIrCH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CIrCH)(OC)(H)2	H(CCHO)	H(CCHO)	108.2300	0.000	1	108.2300	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CMnCH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CMnCH)(OC)(H)2	H(CCHO)	H(CCHO)	107.5230	0.201	2	107.5230	0.040	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN3)(OC)(H)2	H(CCHO)	H(CCHO)	C(CN3)(OC)(H)2	H(CCHO)	H(CCHO)	109.4612	1.569	10	109.4612	2.462	10	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN3)(OH)(H)2	H(CCHO)	H(CCHO)	C(CN3)(OH)(H)2	H(CCHO)	H(CCHO)	110.6530	3.275	2	110.6530	10.728	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[3x6]HH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CN[3x6]HH)(OC)(H)2	H(CCHO)	H(CCHO)	108.0190	0.000	1	108.0190	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5,5]HH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CN[5,5]HH)(OC)(H)2	H(CCHO)	H(CCHO)	109.5280	0.000	1	109.5280	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5]2H)(OH)(H)2	H(CCHO)	H(CCHO)	C(CN[5]2H)(OH)(H)2	H(CCHO)	H(CCHO)	108.2900	0.000	1	108.2900	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5]2H)(OMn)(H)2	H(CCHO)	H(CCHO)	C(CN[5]2H)(OMn)(H)2	H(CCHO)	H(CCHO)	107.7380	0.024	2	107.7380	0.001	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5]3)(OC)(H)2	H(CCHO)	H(CCHO)	C(CN[5]3)(OC)(H)2	H(CCHO)	H(CCHO)	108.3862	0.071	6	108.3862	0.005	6	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5]3)(OH)(H)2	H(CCHO)	H(CCHO)	C(CN[5]3)(OH)(H)2	H(CCHO)	H(CCHO)	108.0817	0.175	4	108.0817	0.030	4	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5]3)(OP)(H)2	H(CCHO)	H(CCHO)	C(CN[5]3)(OP)(H)2	H(CCHO)	H(CCHO)	108.4570	0.000	1	108.4570	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5]CC)(OC)(H)2	H(CCHO)	H(CCHO)	C(CN[5]CC)(OC)(H)2	H(CCHO)	H(CCHO)	108.3050	0.134	2	108.3050	0.018	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5]CC)(OH)(H)2	H(CCHO)	H(CCHO)	C(CN[5]CC)(OH)(H)2	H(CCHO)	H(CCHO)	107.7565	0.805	2	107.7565	0.649	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5]CH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CN[5]CH)(OC)(H)2	H(CCHO)	H(CCHO)	108.3137	0.315	3	108.3137	0.099	3	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5]CH)(OC[5])(H)2	H(CCHO)	H(CCHO)	C(CN[5]CH)(OC[5])(H)2	H(CCHO)	H(CCHO)	108.9760	0.000	1	108.9760	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5]CH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CN[5]CH)(OH)(H)2	H(CCHO)	H(CCHO)	109.1470	3.351	9	109.1470	11.229	9	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CN[5]HH)(OC)(H)2	H(CCHO)	H(CCHO)	108.5195	0.868	99	108.5195	0.753	99	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(OC[5])(H)2	H(CCHO)	H(CCHO)	C(CN[5]HH)(OC[5])(H)2	H(CCHO)	H(CCHO)	107.9745	0.159	2	107.9745	0.025	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(OC[6])(H)2	H(CCHO)	H(CCHO)	C(CN[5]HH)(OC[6])(H)2	H(CCHO)	H(CCHO)	108.3340	0.000	1	108.3340	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(OC[6a])(H)2	H(CCHO)	H(CCHO)	C(CN[5]HH)(OC[6a])(H)2	H(CCHO)	H(CCHO)	108.6887	0.584	41	108.6887	0.342	41	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CN[5]HH)(OH)(H)2	H(CCHO)	H(CCHO)	107.9390	0.711	61	107.9390	0.506	61	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(ON)(H)2	H(CCHO)	H(CCHO)	C(CN[5]HH)(ON)(H)2	H(CCHO)	H(CCHO)	108.6760	0.000	1	108.6760	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(ONi)(H)2	H(CCHO)	H(CCHO)	C(CN[5]HH)(ONi)(H)2	H(CCHO)	H(CCHO)	108.1980	0.000	1	108.1980	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(OP)(H)2	H(CCHO)	H(CCHO)	C(CN[5]HH)(OP)(H)2	H(CCHO)	H(CCHO)	108.4160	0.000	1	108.4160	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(OS)(H)2	H(CCHO)	H(CCHO)	C(CN[5]HH)(OS)(H)2	H(CCHO)	H(CCHO)	108.6750	0.000	1	108.6750	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5]HO)(OC)(H)2	H(CCHO)	H(CCHO)	C(CN[5]HO)(OC)(H)2	H(CCHO)	H(CCHO)	108.5240	0.000	1	108.5240	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5a]2H)(OH)(H)2	H(CCHO)	H(CCHO)	C(CN[5a]2H)(OH)(H)2	H(CCHO)	H(CCHO)	107.9250	0.000	1	107.9250	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5a]3)(OC)(H)2	H(CCHO)	H(CCHO)	C(CN[5a]3)(OC)(H)2	H(CCHO)	H(CCHO)	108.2918	0.189	20	108.2918	0.036	20	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5a]3)(OH)(H)2	H(CCHO)	H(CCHO)	C(CN[5a]3)(OH)(H)2	H(CCHO)	H(CCHO)	108.0785	0.046	2	108.0785	0.002	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5a]3)(OS)(H)2	H(CCHO)	H(CCHO)	C(CN[5a]3)(OS)(H)2	H(CCHO)	H(CCHO)	109.9870	0.000	2	109.9870	0.000	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5a]CC)(OH)(H)2	H(CCHO)	H(CCHO)	C(CN[5a]CC)(OH)(H)2	H(CCHO)	H(CCHO)	107.6645	0.371	4	107.6645	0.138	4	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5a]CH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CN[5a]CH)(OH)(H)2	H(CCHO)	H(CCHO)	107.7635	0.653	6	107.7635	0.427	6	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CN[5a]HH)(OC)(H)2	H(CCHO)	H(CCHO)	108.8524	2.345	46	108.8524	5.500	46	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(OC[6])(H)2	H(CCHO)	H(CCHO)	C(CN[5a]HH)(OC[6])(H)2	H(CCHO)	H(CCHO)	112.2045	5.195	2	112.2045	26.989	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(OC[6a])(H)2	H(CCHO)	H(CCHO)	C(CN[5a]HH)(OC[6a])(H)2	H(CCHO)	H(CCHO)	109.2915	1.031	20	109.2915	1.063	20	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CN[5a]HH)(OH)(H)2	H(CCHO)	H(CCHO)	108.0367	1.112	28	108.0367	1.237	28	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(OP)(H)2	H(CCHO)	H(CCHO)	C(CN[5a]HH)(OP)(H)2	H(CCHO)	H(CCHO)	108.5580	0.123	2	108.5580	0.015	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(OS)(H)2	H(CCHO)	H(CCHO)	C(CN[5a]HH)(OS)(H)2	H(CCHO)	H(CCHO)	108.4275	0.059	2	108.4275	0.003	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5a]NN)(OH)(H)2	H(CCHO)	H(CCHO)	C(CN[5a]NN)(OH)(H)2	H(CCHO)	H(CCHO)	108.2370	0.000	1	108.2370	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[5a]N[5]2)(ORu)(H)2	H(CCHO)	H(CCHO)	C(CN[5a]N[5]2)(ORu)(H)2	H(CCHO)	H(CCHO)	107.5270	0.000	1	107.5270	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[6,6]HH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CN[6,6]HH)(OH)(H)2	H(CCHO)	H(CCHO)	108.1510	0.000	1	108.1510	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[6]CC)(OC[6])(H)2	H(CCHO)	H(CCHO)	C(CN[6]CC)(OC[6])(H)2	H(CCHO)	H(CCHO)	107.5840	0.000	1	107.5840	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[6]CH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CN[6]CH)(OH)(H)2	H(CCHO)	H(CCHO)	108.2380	0.586	6	108.2380	0.343	6	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(OB)(H)2	H(CCHO)	H(CCHO)	C(CN[6]HH)(OB)(H)2	H(CCHO)	H(CCHO)	115.5780	0.000	1	115.5780	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CN[6]HH)(OC)(H)2	H(CCHO)	H(CCHO)	108.2983	0.279	18	108.2983	0.078	18	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(OC[6])(H)2	H(CCHO)	H(CCHO)	C(CN[6]HH)(OC[6])(H)2	H(CCHO)	H(CCHO)	108.5737	0.315	3	108.5737	0.099	3	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(OC[6a])(H)2	H(CCHO)	H(CCHO)	C(CN[6]HH)(OC[6a])(H)2	H(CCHO)	H(CCHO)	108.9803	0.744	33	108.9803	0.554	33	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CN[6]HH)(OH)(H)2	H(CCHO)	H(CCHO)	108.1179	0.729	42	108.1179	0.532	42	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(ON[5])(H)2	H(CCHO)	H(CCHO)	C(CN[6]HH)(ON[5])(H)2	H(CCHO)	H(CCHO)	108.5530	0.000	1	108.5530	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(OP)(H)2	H(CCHO)	H(CCHO)	C(CN[6]HH)(OP)(H)2	H(CCHO)	H(CCHO)	108.3540	0.000	1	108.3540	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[6a]CH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CN[6a]CH)(OH)(H)2	H(CCHO)	H(CCHO)	107.7945	0.231	2	107.7945	0.053	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[6a]HH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CN[6a]HH)(OC)(H)2	H(CCHO)	H(CCHO)	108.4833	1.261	9	108.4833	1.589	9	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[6a]HH)(OC[6])(H)2	H(CCHO)	H(CCHO)	C(CN[6a]HH)(OC[6])(H)2	H(CCHO)	H(CCHO)	108.4980	0.000	1	108.4980	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[6a]HH)(OC[6a])(H)2	H(CCHO)	H(CCHO)	C(CN[6a]HH)(OC[6a])(H)2	H(CCHO)	H(CCHO)	108.6573	0.066	4	108.6573	0.004	4	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CN[6a]HH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CN[6a]HH)(OH)(H)2	H(CCHO)	H(CCHO)	107.9821	0.458	7	107.9821	0.209	7	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CNiCH)(OP)(H)2	H(CCHO)	H(CCHO)	C(CNiCH)(OP)(H)2	H(CCHO)	H(CCHO)	107.9301	0.264	7	107.9301	0.070	7	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CNiHH)(OP)(H)2	H(CCHO)	H(CCHO)	C(CNiHH)(OP)(H)2	H(CCHO)	H(CCHO)	108.0480	0.000	1	108.0480	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CO[3]HH)(OC[6])(H)2	H(CCHO)	H(CCHO)	C(CO[3]HH)(OC[6])(H)2	H(CCHO)	H(CCHO)	113.4350	0.000	1	113.4350	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CO[4]CC)(OC)(H)2	H(CCHO)	H(CCHO)	C(CO[4]CC)(OC)(H)2	H(CCHO)	H(CCHO)	108.4660	0.000	1	108.4660	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CP[5]HH)(OH)(H)2	H(CCHO)	H(CCHO)	C(CP[5]HH)(OH)(H)2	H(CCHO)	H(CCHO)	108.5165	0.159	2	108.5165	0.025	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CPdCC)(OH)(H)2	H(CCHO)	H(CCHO)	C(CPdCC)(OH)(H)2	H(CCHO)	H(CCHO)	107.8377	0.414	3	107.8377	0.171	3	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CSbHH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CSbHH)(OC)(H)2	H(CCHO)	H(CCHO)	108.5530	0.274	2	108.5530	0.075	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CSeCH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CSeCH)(OC)(H)2	H(CCHO)	H(CCHO)	107.9955	0.373	2	107.9955	0.139	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CSeHH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CSeHH)(OC)(H)2	H(CCHO)	H(CCHO)	107.9437	1.254	11	107.9437	1.572	11	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CSiCH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CSiCH)(OC)(H)2	H(CCHO)	H(CCHO)	108.7950	0.000	1	108.7950	0.000	1	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CSiHH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CSiHH)(OC)(H)2	H(CCHO)	H(CCHO)	108.9047	2.420	13	108.9047	5.855	13	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CSiHH)(OC[5])(H)2	H(CCHO)	H(CCHO)	C(CSiHH)(OC[5])(H)2	H(CCHO)	H(CCHO)	107.8000	0.000	2	107.8000	0.000	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CSiHH)(OC[6])(H)2	H(CCHO)	H(CCHO)	C(CSiHH)(OC[6])(H)2	H(CCHO)	H(CCHO)	108.4490	0.013	2	108.4490	0.000	2	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	C-4:	C-4:	C(CTeHH)(OC)(H)2	H(CCHO)	H(CCHO)	C(CTeHH)(OC)(H)2	H(CCHO)	H(CCHO)	105.5575	3.447	4	105.5575	11.882	4	108.3148	1.659	19109	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:P-2:H-1:H-1:	C-4:	C-4:	C(CCCH)(PRe)(H)2	H(CCHP)	H(CCHP)	C(CCCH)(PRe)(H)2	H(CCHP)	H(CCHP)	107.1020	0.078	2	107.1020	0.006	2	106.7124	4.661	9	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:P-2:H-1:H-1:	C-4:	C-4:	C(CCCH)(PW)(H)2	H(CCHP)	H(CCHP)	C(CCCH)(PW)(H)2	H(CCHP)	H(CCHP)	107.1635	0.155	2	107.1635	0.024	2	106.7124	4.661	9	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:P-2:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(PAg)(H)2	H(CCHP)	H(CCHP)	C(CC[5]HH)(PAg)(H)2	H(CCHP)	H(CCHP)	107.7355	0.301	2	107.7355	0.090	2	106.7124	4.661	9	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:P-2:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(PC)(H)2	H(CCHP)	H(CCHP)	C(CC[5]HH)(PC)(H)2	H(CCHP)	H(CCHP)	107.8130	0.000	1	107.8130	0.000	1	106.7124	4.661	9	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:P-2:H-1:H-1:	C-4:	C-4:	C(CH3)(PO)(H)2	H(CCHP)	H(CCHP)	C(CH3)(PO)(H)2	H(CCHP)	H(CCHP)	101.0200	0.000	1	101.0200	0.000	1	106.7124	4.661	9	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:P-2:H-1:H-1:	C-4:	C-4:	C(CHHP)(PZr)(H)2	H(CCHP)	H(CCHP)	C(CHHP)(PZr)(H)2	H(CCHP)	H(CCHP)	107.5770	0.000	1	107.5770	0.000	1	106.7124	4.661	9	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CBrHH)(SC[5])(H)2	H(CCHS)	H(CCHS)	C(CBrHH)(SC[5])(H)2	H(CCHS)	H(CCHS)	108.0043	0.048	3	108.0043	0.002	3	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CC3)(SC)(H)2	H(CCHS)	H(CCHS)	C(CC3)(SC)(H)2	H(CCHS)	H(CCHS)	107.4582	0.241	5	107.4582	0.058	5	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CC3)(SFe)(H)2	H(CCHS)	H(CCHS)	C(CC3)(SFe)(H)2	H(CCHS)	H(CCHS)	108.0630	0.000	1	108.0630	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCCH)(SC)(H)2	H(CCHS)	H(CCHS)	C(CCCH)(SC)(H)2	H(CCHS)	H(CCHS)	107.3333	0.078	3	107.3333	0.006	3	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCCH)(SH)(H)2	H(CCHS)	H(CCHS)	C(CCCH)(SH)(H)2	H(CCHS)	H(CCHS)	107.0460	0.000	1	107.0460	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCCH)(SPt)(H)2	H(CCHS)	H(CCHS)	C(CCCH)(SPt)(H)2	H(CCHS)	H(CCHS)	107.7610	0.675	6	107.7610	0.456	6	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCCH)(SS)(H)2	H(CCHS)	H(CCHS)	C(CCCH)(SS)(H)2	H(CCHS)	H(CCHS)	107.6210	0.079	3	107.6210	0.006	3	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCCN)(SS)(H)2	H(CCHS)	H(CCHS)	C(CCCN)(SS)(H)2	H(CCHS)	H(CCHS)	107.3820	0.007	2	107.3820	0.000	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCCS)(SNi)(H)2	H(CCHS)	H(CCHS)	C(CCCS)(SNi)(H)2	H(CCHS)	H(CCHS)	107.8205	0.091	4	107.8205	0.008	4	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCFF)(SC)(H)2	H(CCHS)	H(CCHS)	C(CCFF)(SC)(H)2	H(CCHS)	H(CCHS)	107.4000	0.197	3	107.4000	0.039	3	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(SC)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SC)(H)2	H(CCHS)	H(CCHS)	107.8813	0.769	209	107.8813	0.591	209	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(SFe)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SFe)(H)2	H(CCHS)	H(CCHS)	107.5494	0.127	5	107.5494	0.016	5	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(SH)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SH)(H)2	H(CCHS)	H(CCHS)	110.9689	2.193	16	110.9689	4.808	16	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(SMo)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SMo)(H)2	H(CCHS)	H(CCHS)	107.5130	0.000	1	107.5130	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(SN)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SN)(H)2	H(CCHS)	H(CCHS)	108.3860	0.000	1	108.3860	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(SNi)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SNi)(H)2	H(CCHS)	H(CCHS)	107.5790	0.065	5	107.5790	0.004	5	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(SP)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SP)(H)2	H(CCHS)	H(CCHS)	107.7377	0.306	3	107.7377	0.093	3	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(SPt)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SPt)(H)2	H(CCHS)	H(CCHS)	107.5350	0.000	1	107.5350	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(SRe)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SRe)(H)2	H(CCHS)	H(CCHS)	107.2920	0.214	2	107.2920	0.046	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(SS)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SS)(H)2	H(CCHS)	H(CCHS)	107.6614	0.251	15	107.6614	0.063	15	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(SSn)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SSn)(H)2	H(CCHS)	H(CCHS)	107.8490	0.116	2	107.8490	0.013	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(SV)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SV)(H)2	H(CCHS)	H(CCHS)	107.4751	0.152	7	107.4751	0.023	7	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCHN)(SC)(H)2	H(CCHS)	H(CCHS)	C(CCHN)(SC)(H)2	H(CCHS)	H(CCHS)	107.7375	0.593	13	107.7375	0.351	13	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCHN)(SCo)(H)2	H(CCHS)	H(CCHS)	C(CCHN)(SCo)(H)2	H(CCHS)	H(CCHS)	108.4490	0.000	1	108.4490	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCHN)(SH)(H)2	H(CCHS)	H(CCHS)	C(CCHN)(SH)(H)2	H(CCHS)	H(CCHS)	107.9635	1.204	39	107.9635	1.449	39	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCHN)(SMo)(H)2	H(CCHS)	H(CCHS)	C(CCHN)(SMo)(H)2	H(CCHS)	H(CCHS)	108.0240	0.139	2	108.0240	0.019	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCHN)(SNi)(H)2	H(CCHS)	H(CCHS)	C(CCHN)(SNi)(H)2	H(CCHS)	H(CCHS)	108.0075	0.037	2	108.0075	0.001	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCHN)(SPd)(H)2	H(CCHS)	H(CCHS)	C(CCHN)(SPd)(H)2	H(CCHS)	H(CCHS)	108.0440	0.116	11	108.0440	0.014	11	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCHN)(SPt)(H)2	H(CCHS)	H(CCHS)	C(CCHN)(SPt)(H)2	H(CCHS)	H(CCHS)	108.0286	0.129	10	108.0286	0.017	10	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCHN)(SRu)(H)2	H(CCHS)	H(CCHS)	C(CCHN)(SRu)(H)2	H(CCHS)	H(CCHS)	108.0710	0.052	2	108.0710	0.003	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCHN)(SS)(H)2	H(CCHS)	H(CCHS)	C(CCHN)(SS)(H)2	H(CCHS)	H(CCHS)	108.0240	0.740	22	108.0240	0.547	22	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCHN)(STc)(H)2	H(CCHS)	H(CCHS)	C(CCHN)(STc)(H)2	H(CCHS)	H(CCHS)	108.0650	0.000	1	108.0650	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCHO)(SC)(H)2	H(CCHS)	H(CCHS)	C(CCHO)(SC)(H)2	H(CCHS)	H(CCHS)	107.8740	0.451	8	107.8740	0.203	8	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCHO)(SRe)(H)2	H(CCHS)	H(CCHS)	C(CCHO)(SRe)(H)2	H(CCHS)	H(CCHS)	108.6693	0.305	3	108.6693	0.093	3	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCHO)(SS)(H)2	H(CCHS)	H(CCHS)	C(CCHO)(SS)(H)2	H(CCHS)	H(CCHS)	108.2020	0.000	1	108.2020	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCHO)(SSn)(H)2	H(CCHS)	H(CCHS)	C(CCHO)(SSn)(H)2	H(CCHS)	H(CCHS)	107.9715	0.333	2	107.9715	0.111	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCHS)(SC)(H)2	H(CCHS)	H(CCHS)	C(CCHS)(SC)(H)2	H(CCHS)	H(CCHS)	107.7640	0.000	1	107.7640	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCSS)(SC)(H)2	H(CCHS)	H(CCHS)	C(CCSS)(SC)(H)2	H(CCHS)	H(CCHS)	107.2490	0.157	2	107.2490	0.025	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CC[4]HN)(SC)(H)2	H(CCHS)	H(CCHS)	C(CC[4]HN)(SC)(H)2	H(CCHS)	H(CCHS)	108.0870	0.000	1	108.0870	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CC[5]CC)(SC[6a])(H)2	H(CCHS)	H(CCHS)	C(CC[5]CC)(SC[6a])(H)2	H(CCHS)	H(CCHS)	108.7750	0.000	1	108.7750	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(SC)(H)2	H(CCHS)	H(CCHS)	C(CC[5]HH)(SC)(H)2	H(CCHS)	H(CCHS)	107.7715	0.331	11	107.7715	0.109	11	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(SC[6a])(H)2	H(CCHS)	H(CCHS)	C(CC[5]HH)(SC[6a])(H)2	H(CCHS)	H(CCHS)	106.9300	0.000	1	106.9300	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(SS)(H)2	H(CCHS)	H(CCHS)	C(CC[5]HH)(SS)(H)2	H(CCHS)	H(CCHS)	107.8140	0.016	2	107.8140	0.000	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CC[5]HN)(SC)(H)2	H(CCHS)	H(CCHS)	C(CC[5]HN)(SC)(H)2	H(CCHS)	H(CCHS)	107.3975	0.264	2	107.3975	0.070	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CC[5]HO)(SH)(H)2	H(CCHS)	H(CCHS)	C(CC[5]HO)(SH)(H)2	H(CCHS)	H(CCHS)	107.6940	0.000	1	107.6940	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]S)(SC)(H)2	H(CCHS)	H(CCHS)	C(CC[5a]C[6a]S)(SC)(H)2	H(CCHS)	H(CCHS)	107.0960	0.048	2	107.0960	0.002	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(SC)(H)2	H(CCHS)	H(CCHS)	C(CC[5a]HH)(SC)(H)2	H(CCHS)	H(CCHS)	109.0095	1.114	2	109.0095	1.240	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(SC[6a])(H)2	H(CCHS)	H(CCHS)	C(CC[5a]HH)(SC[6a])(H)2	H(CCHS)	H(CCHS)	107.5200	0.000	1	107.5200	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CC[5x3,5x5,20x6]HH)(SH)(H)2	H(CCHS)	H(CCHS)	C(CC[5x3,5x5,20x6]HH)(SH)(H)2	H(CCHS)	H(CCHS)	107.5920	0.000	1	107.5920	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(SAs)(H)2	H(CCHS)	H(CCHS)	C(CC[6]HH)(SAs)(H)2	H(CCHS)	H(CCHS)	109.0760	0.000	1	109.0760	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(SC)(H)2	H(CCHS)	H(CCHS)	C(CC[6]HH)(SC)(H)2	H(CCHS)	H(CCHS)	107.7403	0.144	3	107.7403	0.021	3	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(SC[6a])(H)2	H(CCHS)	H(CCHS)	C(CC[6]HH)(SC[6a])(H)2	H(CCHS)	H(CCHS)	107.7140	0.098	2	107.7140	0.010	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CC[6]N[5]H)(SC)(H)2	H(CCHS)	H(CCHS)	C(CC[6]N[5]H)(SC)(H)2	H(CCHS)	H(CCHS)	107.3090	0.000	1	107.3090	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(SC[6a])(H)2	H(CCHS)	H(CCHS)	C(CC[6a]CH)(SC[6a])(H)2	H(CCHS)	H(CCHS)	107.9094	0.173	8	107.9094	0.030	8	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(SC)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]HH)(SC)(H)2	H(CCHS)	H(CCHS)	107.9137	0.473	3	107.9137	0.223	3	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(SC[6])(H)2	H(CCHS)	H(CCHS)	C(CC[6a]HH)(SC[6])(H)2	H(CCHS)	H(CCHS)	107.8450	0.426	2	107.8450	0.181	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(SC[6a])(H)2	H(CCHS)	H(CCHS)	C(CC[6a]HH)(SC[6a])(H)2	H(CCHS)	H(CCHS)	108.2050	0.000	1	108.2050	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(SCu)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]HH)(SCu)(H)2	H(CCHS)	H(CCHS)	107.7960	0.000	1	107.7960	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(SC[6a])(H)2	H(CCHS)	H(CCHS)	C(CC[6a]HO)(SC[6a])(H)2	H(CCHS)	H(CCHS)	107.7060	0.000	1	107.7060	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CClHH)(SC)(H)2	H(CCHS)	H(CCHS)	C(CClHH)(SC)(H)2	H(CCHS)	H(CCHS)	109.4400	0.000	1	109.4400	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CCo2C)(SC)(H)2	H(CCHS)	H(CCHS)	C(CCo2C)(SC)(H)2	H(CCHS)	H(CCHS)	107.9273	0.365	3	107.9273	0.133	3	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CF3)(SC)(H)2	H(CCHS)	H(CCHS)	C(CF3)(SC)(H)2	H(CCHS)	H(CCHS)	107.5883	0.191	3	107.5883	0.037	3	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CF3)(STi)(H)2	H(CCHS)	H(CCHS)	C(CF3)(STi)(H)2	H(CCHS)	H(CCHS)	107.8435	0.019	2	107.8435	0.000	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CH3)(SB)(H)2	H(CCHS)	H(CCHS)	C(CH3)(SB)(H)2	H(CCHS)	H(CCHS)	108.0678	0.249	9	108.0678	0.062	9	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CH3)(SC)(H)2	H(CCHS)	H(CCHS)	C(CH3)(SC)(H)2	H(CCHS)	H(CCHS)	108.1920	1.554	85	108.1920	2.415	85	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CH3)(SFe)(H)2	H(CCHS)	H(CCHS)	C(CH3)(SFe)(H)2	H(CCHS)	H(CCHS)	105.3528	6.614	13	105.3528	43.741	13	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CH3)(SIn)(H)2	H(CCHS)	H(CCHS)	C(CH3)(SIn)(H)2	H(CCHS)	H(CCHS)	107.5690	0.000	1	107.5690	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CH3)(SMo)(H)2	H(CCHS)	H(CCHS)	C(CH3)(SMo)(H)2	H(CCHS)	H(CCHS)	108.4293	1.051	3	108.4293	1.105	3	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CH3)(SNi)(H)2	H(CCHS)	H(CCHS)	C(CH3)(SNi)(H)2	H(CCHS)	H(CCHS)	107.8140	0.000	1	107.8140	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CH3)(SP)(H)2	H(CCHS)	H(CCHS)	C(CH3)(SP)(H)2	H(CCHS)	H(CCHS)	108.3630	0.000	1	108.3630	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CH3)(SPd)(H)2	H(CCHS)	H(CCHS)	C(CH3)(SPd)(H)2	H(CCHS)	H(CCHS)	107.8620	0.000	1	107.8620	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CH3)(SPt)(H)2	H(CCHS)	H(CCHS)	C(CH3)(SPt)(H)2	H(CCHS)	H(CCHS)	107.6680	0.000	1	107.6680	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CH3)(SRe)(H)2	H(CCHS)	H(CCHS)	C(CH3)(SRe)(H)2	H(CCHS)	H(CCHS)	107.2647	1.870	3	107.2647	3.496	3	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CH3)(SS)(H)2	H(CCHS)	H(CCHS)	C(CH3)(SS)(H)2	H(CCHS)	H(CCHS)	107.6680	0.000	1	107.6680	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CH3)(SZn)(H)2	H(CCHS)	H(CCHS)	C(CH3)(SZn)(H)2	H(CCHS)	H(CCHS)	107.9305	1.822	2	107.9305	3.320	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(SAl)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SAl)(H)2	H(CCHS)	H(CCHS)	107.9260	0.069	2	107.9260	0.005	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(SC)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SC)(H)2	H(CCHS)	H(CCHS)	107.7894	1.056	85	107.7894	1.115	85	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(SCo)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SCo)(H)2	H(CCHS)	H(CCHS)	108.3270	1.471	2	108.3270	2.163	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(SFe)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SFe)(H)2	H(CCHS)	H(CCHS)	107.1138	1.981	5	107.1138	3.923	5	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(SH)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SH)(H)2	H(CCHS)	H(CCHS)	108.0635	0.577	6	108.0635	0.333	6	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(SIn)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SIn)(H)2	H(CCHS)	H(CCHS)	107.5772	0.109	5	107.5772	0.012	5	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(SIr)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SIr)(H)2	H(CCHS)	H(CCHS)	109.5650	0.000	1	109.5650	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(SMo)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SMo)(H)2	H(CCHS)	H(CCHS)	107.6952	3.117	13	107.6952	9.717	13	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(SN)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SN)(H)2	H(CCHS)	H(CCHS)	106.6260	0.000	1	106.6260	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(SNi)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SNi)(H)2	H(CCHS)	H(CCHS)	108.2373	0.832	28	108.2373	0.692	28	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(SP)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SP)(H)2	H(CCHS)	H(CCHS)	107.7760	0.000	1	107.7760	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(SPb)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SPb)(H)2	H(CCHS)	H(CCHS)	107.4493	0.088	3	107.4493	0.008	3	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(SPt)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SPt)(H)2	H(CCHS)	H(CCHS)	107.8575	0.282	2	107.8575	0.080	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(SRe)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SRe)(H)2	H(CCHS)	H(CCHS)	109.7777	5.054	16	109.7777	25.546	16	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(SRh)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SRh)(H)2	H(CCHS)	H(CCHS)	109.5059	1.565	8	109.5059	2.448	8	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(SS)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SS)(H)2	H(CCHS)	H(CCHS)	107.6975	0.233	30	107.6975	0.054	30	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(STc)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(STc)(H)2	H(CCHS)	H(CCHS)	108.1930	0.000	1	108.1930	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(SV)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SV)(H)2	H(CCHS)	H(CCHS)	107.4695	1.261	12	107.4695	1.590	12	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(SZn)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SZn)(H)2	H(CCHS)	H(CCHS)	107.9230	0.281	3	107.9230	0.079	3	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHO)(SC)(H)2	H(CCHS)	H(CCHS)	C(CHHO)(SC)(H)2	H(CCHS)	H(CCHS)	107.6592	0.449	68	107.6592	0.201	68	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHO)(SNi)(H)2	H(CCHS)	H(CCHS)	C(CHHO)(SNi)(H)2	H(CCHS)	H(CCHS)	107.4990	0.000	1	107.4990	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHO)(SRu)(H)2	H(CCHS)	H(CCHS)	C(CHHO)(SRu)(H)2	H(CCHS)	H(CCHS)	108.0435	0.217	2	108.0435	0.047	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHO)(SS)(H)2	H(CCHS)	H(CCHS)	C(CHHO)(SS)(H)2	H(CCHS)	H(CCHS)	107.6805	0.362	4	107.6805	0.131	4	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHP)(SC)(H)2	H(CCHS)	H(CCHS)	C(CHHP)(SC)(H)2	H(CCHS)	H(CCHS)	108.3895	0.751	13	108.3895	0.564	13	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHP)(SMo)(H)2	H(CCHS)	H(CCHS)	C(CHHP)(SMo)(H)2	H(CCHS)	H(CCHS)	108.0110	0.157	5	108.0110	0.025	5	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHP)(SPd)(H)2	H(CCHS)	H(CCHS)	C(CHHP)(SPd)(H)2	H(CCHS)	H(CCHS)	107.8900	0.000	1	107.8900	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHP)(SPt)(H)2	H(CCHS)	H(CCHS)	C(CHHP)(SPt)(H)2	H(CCHS)	H(CCHS)	107.9443	0.167	3	107.9443	0.028	3	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHP)(SW)(H)2	H(CCHS)	H(CCHS)	C(CHHP)(SW)(H)2	H(CCHS)	H(CCHS)	109.2656	0.590	7	109.2656	0.348	7	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHS)(SAl)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SAl)(H)2	H(CCHS)	H(CCHS)	107.6705	0.127	2	107.6705	0.016	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHS)(SC)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SC)(H)2	H(CCHS)	H(CCHS)	108.0044	2.497	198	108.0044	6.237	198	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHS)(SCo)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SCo)(H)2	H(CCHS)	H(CCHS)	108.1970	0.106	2	108.1970	0.011	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHS)(SFe)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SFe)(H)2	H(CCHS)	H(CCHS)	107.9199	0.184	7	107.9199	0.034	7	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHS)(SH)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SH)(H)2	H(CCHS)	H(CCHS)	107.8545	0.035	2	107.8545	0.001	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHS)(SMo)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SMo)(H)2	H(CCHS)	H(CCHS)	108.1608	0.544	16	108.1608	0.296	16	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHS)(SNi)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SNi)(H)2	H(CCHS)	H(CCHS)	108.1133	0.107	3	108.1133	0.011	3	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHS)(SRe)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SRe)(H)2	H(CCHS)	H(CCHS)	108.0440	0.639	35	108.0440	0.408	35	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHS)(SRu)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SRu)(H)2	H(CCHS)	H(CCHS)	107.8580	0.093	4	107.8580	0.009	4	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHS)(SSn)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SSn)(H)2	H(CCHS)	H(CCHS)	106.1320	0.000	1	106.1320	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CHHS)(STc)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(STc)(H)2	H(CCHS)	H(CCHS)	108.0075	1.611	2	108.0075	2.597	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CN[5]2H)(SC[6a])(H)2	H(CCHS)	H(CCHS)	C(CN[5]2H)(SC[6a])(H)2	H(CCHS)	H(CCHS)	107.8650	0.000	1	107.8650	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CN[5]CH)(SC)(H)2	H(CCHS)	H(CCHS)	C(CN[5]CH)(SC)(H)2	H(CCHS)	H(CCHS)	107.3030	0.000	1	107.3030	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(SC)(H)2	H(CCHS)	H(CCHS)	C(CN[5]HH)(SC)(H)2	H(CCHS)	H(CCHS)	107.7163	0.230	9	107.7163	0.053	9	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(SC[5])(H)2	H(CCHS)	H(CCHS)	C(CN[5]HH)(SC[5])(H)2	H(CCHS)	H(CCHS)	107.8220	0.000	1	107.8220	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(SC[5a])(H)2	H(CCHS)	H(CCHS)	C(CN[5]HH)(SC[5a])(H)2	H(CCHS)	H(CCHS)	107.8800	0.182	2	107.8800	0.033	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(SC[6])(H)2	H(CCHS)	H(CCHS)	C(CN[5]HH)(SC[6])(H)2	H(CCHS)	H(CCHS)	107.6870	0.000	1	107.6870	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(SC[6a])(H)2	H(CCHS)	H(CCHS)	C(CN[5]HH)(SC[6a])(H)2	H(CCHS)	H(CCHS)	107.7820	0.143	3	107.7820	0.020	3	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CN[5a]CH)(SC[6a])(H)2	H(CCHS)	H(CCHS)	C(CN[5a]CH)(SC[6a])(H)2	H(CCHS)	H(CCHS)	108.1780	0.000	1	108.1780	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(SC)(H)2	H(CCHS)	H(CCHS)	C(CN[5a]HH)(SC)(H)2	H(CCHS)	H(CCHS)	107.4240	0.000	1	107.4240	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(SC[6])(H)2	H(CCHS)	H(CCHS)	C(CN[5a]HH)(SC[6])(H)2	H(CCHS)	H(CCHS)	107.5960	0.000	1	107.5960	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(SC[6a])(H)2	H(CCHS)	H(CCHS)	C(CN[5a]HH)(SC[6a])(H)2	H(CCHS)	H(CCHS)	107.6240	0.161	4	107.6240	0.026	4	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(SS)(H)2	H(CCHS)	H(CCHS)	C(CN[5a]HH)(SS)(H)2	H(CCHS)	H(CCHS)	107.6070	0.185	2	107.6070	0.034	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(SC)(H)2	H(CCHS)	H(CCHS)	C(CN[6]HH)(SC)(H)2	H(CCHS)	H(CCHS)	108.0690	0.000	1	108.0690	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(SC[6a])(H)2	H(CCHS)	H(CCHS)	C(CN[6]HH)(SC[6a])(H)2	H(CCHS)	H(CCHS)	107.2940	1.556	3	107.2940	2.423	3	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(SH)(H)2	H(CCHS)	H(CCHS)	C(CN[6]HH)(SH)(H)2	H(CCHS)	H(CCHS)	107.8040	0.000	1	107.8040	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(SNi)(H)2	H(CCHS)	H(CCHS)	C(CN[6]HH)(SNi)(H)2	H(CCHS)	H(CCHS)	108.3180	0.000	1	108.3180	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(SRe)(H)2	H(CCHS)	H(CCHS)	C(CN[6]HH)(SRe)(H)2	H(CCHS)	H(CCHS)	107.9445	0.006	2	107.9445	0.000	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CSiHH)(SP)(H)2	H(CCHS)	H(CCHS)	C(CSiHH)(SP)(H)2	H(CCHS)	H(CCHS)	106.0630	0.000	1	106.0630	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CZrOO)(SC)(H)2	H(CCHS)	H(CCHS)	C(CZrOO)(SC)(H)2	H(CCHS)	H(CCHS)	107.2105	1.876	2	107.2105	3.519	2	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CZrOO)(SH)(H)2	H(CCHS)	H(CCHS)	C(CZrOO)(SH)(H)2	H(CCHS)	H(CCHS)	110.6540	0.000	1	110.6540	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:S-2:H-1:H-1:	C-4:	C-4:	C(CZrOO)(SNi)(H)2	H(CCHS)	H(CCHS)	C(CZrOO)(SNi)(H)2	H(CCHS)	H(CCHS)	102.3230	0.000	1	102.3230	0.000	1	107.9513	2.754	1236	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:Se-2:H-1:H-1:	C-4:	C-4:	C(CCCS)(SeNi)(H)2	H(CSeCH)	H(CSeCH)	C(CCCS)(SeNi)(H)2	H(CSeCH)	H(CSeCH)	107.7945	0.047	2	107.7945	0.002	2	108.1471	1.083	81	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:Se-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(SeC)(H)2	H(CSeCH)	H(CSeCH)	C(CCHH)(SeC)(H)2	H(CSeCH)	H(CSeCH)	108.4015	1.296	43	108.4015	1.680	43	108.1471	1.083	81	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:Se-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(SeMg)(H)2	H(CSeCH)	H(CSeCH)	C(CCHH)(SeMg)(H)2	H(CSeCH)	H(CSeCH)	107.9110	0.000	1	107.9110	0.000	1	108.1471	1.083	81	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:Se-2:H-1:H-1:	C-4:	C-4:	C(CCHH)(SeP)(H)2	H(CSeCH)	H(CSeCH)	C(CCHH)(SeP)(H)2	H(CSeCH)	H(CSeCH)	107.6116	0.153	5	107.6116	0.023	5	108.1471	1.083	81	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:Se-2:H-1:H-1:	C-4:	C-4:	C(CCHN)(SeC)(H)2	H(CSeCH)	H(CSeCH)	C(CCHN)(SeC)(H)2	H(CSeCH)	H(CSeCH)	107.5670	0.000	1	107.5670	0.000	1	108.1471	1.083	81	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:Se-2:H-1:H-1:	C-4:	C-4:	C(CCHN)(SeSe)(H)2	H(CSeCH)	H(CSeCH)	C(CCHN)(SeSe)(H)2	H(CSeCH)	H(CSeCH)	107.5753	0.208	3	107.5753	0.043	3	108.1471	1.083	81	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:Se-2:H-1:H-1:	C-4:	C-4:	C(CCHO)(SeC)(H)2	H(CSeCH)	H(CSeCH)	C(CCHO)(SeC)(H)2	H(CSeCH)	H(CSeCH)	107.4295	0.090	2	107.4295	0.008	2	108.1471	1.083	81	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:Se-2:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(SeC)(H)2	H(CSeCH)	H(CSeCH)	C(CC[6]HH)(SeC)(H)2	H(CSeCH)	H(CSeCH)	109.5640	0.748	2	109.5640	0.560	2	108.1471	1.083	81	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:Se-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(SeC[6a])(H)2	H(CSeCH)	H(CSeCH)	C(CC[6a]CH)(SeC[6a])(H)2	H(CSeCH)	H(CSeCH)	108.2713	0.380	3	108.2713	0.144	3	108.1471	1.083	81	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:Se-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[5]H)(SeC[6a])(H)2	H(CSeCH)	H(CSeCH)	C(CC[6a]N[5]H)(SeC[6a])(H)2	H(CSeCH)	H(CSeCH)	107.7030	0.215	2	107.7030	0.046	2	108.1471	1.083	81	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:Se-2:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[5a]H)(SeC[6a])(H)2	H(CSeCH)	H(CSeCH)	C(CC[6a]N[5a]H)(SeC[6a])(H)2	H(CSeCH)	H(CSeCH)	107.8850	0.000	1	107.8850	0.000	1	108.1471	1.083	81	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:Se-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(SeC)(H)2	H(CSeCH)	H(CSeCH)	C(CHHN)(SeC)(H)2	H(CSeCH)	H(CSeCH)	108.0630	0.000	1	108.0630	0.000	1	108.1471	1.083	81	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:Se-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(SePd)(H)2	H(CSeCH)	H(CSeCH)	C(CHHN)(SePd)(H)2	H(CSeCH)	H(CSeCH)	108.2960	0.000	1	108.2960	0.000	1	108.1471	1.083	81	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:Se-2:H-1:H-1:	C-4:	C-4:	C(CHHN)(SePt)(H)2	H(CSeCH)	H(CSeCH)	C(CHHN)(SePt)(H)2	H(CSeCH)	H(CSeCH)	108.4130	0.000	1	108.4130	0.000	1	108.1471	1.083	81	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:Se-2:H-1:H-1:	C-4:	C-4:	C(CHHO)(SeC)(H)2	H(CSeCH)	H(CSeCH)	C(CHHO)(SeC)(H)2	H(CSeCH)	H(CSeCH)	107.7673	0.267	7	107.7673	0.071	7	108.1471	1.083	81	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:Se-2:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(SeC)(H)2	H(CSeCH)	H(CSeCH)	C(CN[5]HH)(SeC)(H)2	H(CSeCH)	H(CSeCH)	107.4955	0.011	2	107.4955	0.000	2	108.1471	1.083	81	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:Se-2:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(SeC)(H)2	H(CSeCH)	H(CSeCH)	C(CN[5a]HH)(SeC)(H)2	H(CSeCH)	H(CSeCH)	107.7205	0.018	2	107.7205	0.000	2	108.1471	1.083	81	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C-4:Se-2:H-1:H-1:	C-4:	C-4:	C(CSeHH)(SeP)(H)2	H(CSeCH)	H(CSeCH)	C(CSeHH)(SeP)(H)2	H(CSeCH)	H(CSeCH)	107.5650	0.414	2	107.5650	0.172	2	108.1471	1.083	81	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5,5]C[3,5]C[5])(OSi)(H)2	H(CC[3,5]HO)	H(CC[3,5]HO)	C(C[3,5]C[3,5,5]C[3,5]C[5])(OSi)(H)2	H(CC[3,5]HO)	H(CC[3,5]HO)	108.3730	0.020	2	108.3730	0.000	2	108.3909	0.236	13	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5,5]C[3]C[5])(OC)(H)2	H(CC[3,5]HO)	H(CC[3,5]HO)	C(C[3,5]C[3,5,5]C[3]C[5])(OC)(H)2	H(CC[3,5]HO)	H(CC[3,5]HO)	108.2340	0.000	1	108.2340	0.000	1	108.3909	0.236	13	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5]C[3]C[5])(OC)(H)2	H(CC[3,5]HO)	H(CC[3,5]HO)	C(C[3,5]C[3,5]C[3]C[5])(OC)(H)2	H(CC[3,5]HO)	H(CC[3,5]HO)	109.0400	0.359	2	109.0400	0.129	2	108.3909	0.236	13	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5]C[3]C[5])(OH)(H)2	H(CC[3,5]HO)	H(CC[3,5]HO)	C(C[3,5]C[3,5]C[3]C[5])(OH)(H)2	H(CC[3,5]HO)	H(CC[3,5]HO)	108.4377	0.812	3	108.4377	0.659	3	108.3909	0.236	13	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5]C[3]O[5])(OH)(H)2	H(CC[3,5]HO)	H(CC[3,5]HO)	C(C[3,5]C[3,5]C[3]O[5])(OH)(H)2	H(CC[3,5]HO)	H(CC[3,5]HO)	108.0357	0.231	3	108.0357	0.053	3	108.3909	0.236	13	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5]C[5]O[3])(OSi)(H)2	H(CC[3,5]HO)	H(CC[3,5]HO)	C(C[3,5]C[3,5]C[5]O[3])(OSi)(H)2	H(CC[3,5]HO)	H(CC[3,5]HO)	108.3010	0.057	2	108.3010	0.003	2	108.3909	0.236	13	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,5,6]C[6]O[3])(OH)(H)2	H(CC[3,6]HO)	H(CC[3,6]HO)	C(C[3,6]C[3,5,6]C[6]O[3])(OH)(H)2	H(CC[3,6]HO)	H(CC[3,6]HO)	107.5560	0.000	1	107.5560	0.000	1	108.1561	0.125	10	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[3]C[6])(OC)(H)2	H(CC[3,6]HO)	H(CC[3,6]HO)	C(C[3,6]C[3,6]C[3]C[6])(OC)(H)2	H(CC[3,6]HO)	H(CC[3,6]HO)	107.6730	0.000	1	107.6730	0.000	1	108.1561	0.125	10	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[6,6]O[3])(OC)(H)2	H(CC[3,6]HO)	H(CC[3,6]HO)	C(C[3,6]C[3,6]C[6,6]O[3])(OC)(H)2	H(CC[3,6]HO)	H(CC[3,6]HO)	108.2860	0.000	1	108.2860	0.000	1	108.1561	0.125	10	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[6]N[3])(OSi)(H)2	H(CC[3,6]HO)	H(CC[3,6]HO)	C(C[3,6]C[3,6]C[6]N[3])(OSi)(H)2	H(CC[3,6]HO)	H(CC[3,6]HO)	108.4660	0.000	1	108.4660	0.000	1	108.1561	0.125	10	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[6]O[3])(OC)(H)2	H(CC[3,6]HO)	H(CC[3,6]HO)	C(C[3,6]C[3,6]C[6]O[3])(OC)(H)2	H(CC[3,6]HO)	H(CC[3,6]HO)	108.2368	0.184	4	108.2368	0.034	4	108.1561	0.125	10	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[6]O[3])(OH)(H)2	H(CC[3,6]HO)	H(CC[3,6]HO)	C(C[3,6]C[3,6]C[6]O[3])(OH)(H)2	H(CC[3,6]HO)	H(CC[3,6]HO)	107.9700	0.000	1	107.9700	0.000	1	108.1561	0.125	10	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[6]O[3])(OS)(H)2	H(CC[3,6]HO)	H(CC[3,6]HO)	C(C[3,6]C[3,6]C[6]O[3])(OS)(H)2	H(CC[3,6]HO)	H(CC[3,6]HO)	108.6630	0.000	1	108.6630	0.000	1	108.1561	0.125	10	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3]-4:N-2:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(NS)(H)2	H(CC[3]HN)	H(CC[3]HN)	C(C[3]C[3]2H)(NS)(H)2	H(CC[3]HN)	H(CC[3]HN)	107.8890	0.000	1	107.8890	0.000	1	107.8890	0.000	1	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,4]C[3]H)(OC[6a])(H)2	H(CC[3]HO)	H(CC[3]HO)	C(C[3]C[3,4]C[3]H)(OC[6a])(H)2	H(CC[3]HO)	H(CC[3]HO)	107.7310	0.000	1	107.7310	0.000	1	108.2936	1.268	91	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,6]2C)(OH)(H)2	H(CC[3]HO)	H(CC[3]HO)	C(C[3]C[3,6]2C)(OH)(H)2	H(CC[3]HO)	H(CC[3]HO)	110.9990	0.000	1	110.9990	0.000	1	108.2936	1.268	91	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,6]C[3]H)(OH)(H)2	H(CC[3]HO)	H(CC[3]HO)	C(C[3]C[3,6]C[3]H)(OH)(H)2	H(CC[3]HO)	H(CC[3]HO)	106.8750	1.571	3	106.8750	2.468	3	108.2936	1.268	91	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2C)(OC)(H)2	H(CC[3]HO)	H(CC[3]HO)	C(C[3]C[3]2C)(OC)(H)2	H(CC[3]HO)	H(CC[3]HO)	107.3010	1.600	3	107.3010	2.561	3	108.2936	1.268	91	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2C)(OC[6a])(H)2	H(CC[3]HO)	H(CC[3]HO)	C(C[3]C[3]2C)(OC[6a])(H)2	H(CC[3]HO)	H(CC[3]HO)	108.0832	1.059	5	108.0832	1.122	5	108.2936	1.268	91	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2C)(OH)(H)2	H(CC[3]HO)	H(CC[3]HO)	C(C[3]C[3]2C)(OH)(H)2	H(CC[3]HO)	H(CC[3]HO)	107.8260	0.000	1	107.8260	0.000	1	108.2936	1.268	91	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(OC)(H)2	H(CC[3]HO)	H(CC[3]HO)	C(C[3]C[3]2H)(OC)(H)2	H(CC[3]HO)	H(CC[3]HO)	108.3694	0.323	16	108.3694	0.104	16	108.2936	1.268	91	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(OC[6a])(H)2	H(CC[3]HO)	H(CC[3]HO)	C(C[3]C[3]2H)(OC[6a])(H)2	H(CC[3]HO)	H(CC[3]HO)	108.4439	0.113	7	108.4439	0.013	7	108.2936	1.268	91	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(OH)(H)2	H(CC[3]HO)	H(CC[3]HO)	C(C[3]C[3]2H)(OH)(H)2	H(CC[3]HO)	H(CC[3]HO)	108.0488	0.195	10	108.0488	0.038	10	108.2936	1.268	91	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(OS)(H)2	H(CC[3]HO)	H(CC[3]HO)	C(C[3]C[3]2H)(OS)(H)2	H(CC[3]HO)	H(CC[3]HO)	108.5290	0.000	1	108.5290	0.000	1	108.2936	1.268	91	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(OSi)(H)2	H(CC[3]HO)	H(CC[3]HO)	C(C[3]C[3]2H)(OSi)(H)2	H(CC[3]HO)	H(CC[3]HO)	108.4270	0.236	2	108.4270	0.056	2	108.2936	1.268	91	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]N[3]H)(OC)(H)2	H(CC[3]HO)	H(CC[3]HO)	C(C[3]C[3]N[3]H)(OC)(H)2	H(CC[3]HO)	H(CC[3]HO)	108.1319	0.598	10	108.1319	0.357	10	108.2936	1.268	91	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]N[3]H)(OH)(H)2	H(CC[3]HO)	H(CC[3]HO)	C(C[3]C[3]N[3]H)(OH)(H)2	H(CC[3]HO)	H(CC[3]HO)	108.1130	0.000	1	108.1130	0.000	1	108.2936	1.268	91	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]N[3]H)(OSi)(H)2	H(CC[3]HO)	H(CC[3]HO)	C(C[3]C[3]N[3]H)(OSi)(H)2	H(CC[3]HO)	H(CC[3]HO)	108.3825	0.230	4	108.3825	0.053	4	108.2936	1.268	91	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]C)(OH)(H)2	H(CC[3]HO)	H(CC[3]HO)	C(C[3]C[3]O[3]C)(OH)(H)2	H(CC[3]HO)	H(CC[3]HO)	108.0330	0.000	1	108.0330	0.000	1	108.2936	1.268	91	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]C)(ON)(H)2	H(CC[3]HO)	H(CC[3]HO)	C(C[3]C[3]O[3]C)(ON)(H)2	H(CC[3]HO)	H(CC[3]HO)	108.5715	0.039	2	108.5715	0.002	2	108.2936	1.268	91	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]C)(OSi)(H)2	H(CC[3]HO)	H(CC[3]HO)	C(C[3]C[3]O[3]C)(OSi)(H)2	H(CC[3]HO)	H(CC[3]HO)	108.3760	0.000	1	108.3760	0.000	1	108.2936	1.268	91	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(OC)(H)2	H(CC[3]HO)	H(CC[3]HO)	C(C[3]C[3]O[3]H)(OC)(H)2	H(CC[3]HO)	H(CC[3]HO)	108.6006	1.083	12	108.6006	1.172	12	108.2936	1.268	91	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(OC[5a])(H)2	H(CC[3]HO)	H(CC[3]HO)	C(C[3]C[3]O[3]H)(OC[5a])(H)2	H(CC[3]HO)	H(CC[3]HO)	108.4840	0.000	1	108.4840	0.000	1	108.2936	1.268	91	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(OC[6a])(H)2	H(CC[3]HO)	H(CC[3]HO)	C(C[3]C[3]O[3]H)(OC[6a])(H)2	H(CC[3]HO)	H(CC[3]HO)	110.9653	4.145	3	110.9653	17.185	3	108.2936	1.268	91	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]P[3]H)(OSi)(H)2	H(CC[3]HO)	H(CC[3]HO)	C(C[3]C[3]P[3]H)(OSi)(H)2	H(CC[3]HO)	H(CC[3]HO)	108.1400	0.000	1	108.1400	0.000	1	108.2936	1.268	91	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3]C[6a]C[3]2)(OC[3])(H)2	H(CC[3]HO)	H(CC[3]HO)	C(C[3]C[6a]C[3]2)(OC[3])(H)2	H(CC[3]HO)	H(CC[3]HO)	106.4200	0.000	1	106.4200	0.000	1	108.2936	1.268	91	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3]C[6a]C[3]O[3])(OC)(H)2	H(CC[3]HO)	H(CC[3]HO)	C(C[3]C[6a]C[3]O[3])(OC)(H)2	H(CC[3]HO)	H(CC[3]HO)	107.9165	0.134	2	107.9165	0.018	2	108.2936	1.268	91	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3]C[6a]C[3]O[3])(OC[6])(H)2	H(CC[3]HO)	H(CC[3]HO)	C(C[3]C[6a]C[3]O[3])(OC[6])(H)2	H(CC[3]HO)	H(CC[3]HO)	107.4195	0.599	2	107.4195	0.359	2	108.2936	1.268	91	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2C)(SC)(H)2	H(CC[3]HS)	H(CC[3]HS)	C(C[3]C[3]2C)(SC)(H)2	H(CC[3]HS)	H(CC[3]HS)	107.5442	0.321	5	107.5442	0.103	5	107.5442	0.103	5	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3x4,3x6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3x4,3x6]C[3x4,3x6]3)(OC)(H)2	H(CC[3x4,3x6]HO)	H(CC[3x4,3x6]HO)	C(C[3x4,3x6]C[3x4,3x6]3)(OC)(H)2	H(CC[3x4,3x6]HO)	H(CC[3x4,3x6]HO)	108.6690	0.069	2	108.6690	0.005	2	108.4408	0.140	6	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3x4,3x6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3x4,3x6]C[3x4,3x6]3)(OC[6a])(H)2	H(CC[3x4,3x6]HO)	H(CC[3x4,3x6]HO)	C(C[3x4,3x6]C[3x4,3x6]3)(OC[6a])(H)2	H(CC[3x4,3x6]HO)	H(CC[3x4,3x6]HO)	108.7200	0.000	1	108.7200	0.000	1	108.4408	0.140	6	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3x4,3x6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3x4,3x6]C[3x4,3x6]3)(OH)(H)2	H(CC[3x4,3x6]HO)	H(CC[3x4,3x6]HO)	C(C[3x4,3x6]C[3x4,3x6]3)(OH)(H)2	H(CC[3x4,3x6]HO)	H(CC[3x4,3x6]HO)	108.0115	0.357	2	108.0115	0.128	2	108.4408	0.140	6	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3x4,3x6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3x4,3x6]C[3x4,3x6]3)(OS)(H)2	H(CC[3x4,3x6]HO)	H(CC[3x4,3x6]HO)	C(C[3x4,3x6]C[3x4,3x6]3)(OS)(H)2	H(CC[3x4,3x6]HO)	H(CC[3x4,3x6]HO)	108.5640	0.000	1	108.5640	0.000	1	108.4408	0.140	6	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[3,6,6]C[6,6]N[6,6])(OH)(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	C(C[3x6]C[3,6,6]C[6,6]N[6,6])(OH)(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	107.4870	0.006	2	107.4870	0.000	2	108.5757	1.527	26	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[3x6]C[4x6]C[6])(OSi)(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	C(C[3x6]C[3x6]C[4x6]C[6])(OSi)(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	108.2410	0.000	1	108.2410	0.000	1	108.5757	1.527	26	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[5,6,6]C[6,6]2)(OH)(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	C(C[3x6]C[5,6,6]C[6,6]2)(OH)(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	108.4110	0.000	1	108.4110	0.000	1	108.5757	1.527	26	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6,6a]2C[5,6,6])(OH)(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	C(C[3x6]C[6,6,6a]2C[5,6,6])(OH)(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	107.7220	0.406	2	107.7220	0.165	2	108.5757	1.527	26	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6,6a]2C[6,6])(OC)(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	C(C[3x6]C[6,6,6a]2C[6,6])(OC)(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	113.7100	0.000	1	113.7100	0.000	1	108.5757	1.527	26	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6,6a]3)(OC)(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	C(C[3x6]C[6,6,6a]3)(OC)(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	108.2310	0.000	1	108.2310	0.000	1	108.5757	1.527	26	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]2O[6,6])(OH)(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	C(C[3x6]C[6,6]2O[6,6])(OH)(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	109.2817	0.081	6	109.2817	0.007	6	108.5757	1.527	26	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]2O[6,6])(OSi)(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	C(C[3x6]C[6,6]2O[6,6])(OSi)(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	108.3060	0.000	1	108.3060	0.000	1	108.5757	1.527	26	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]3)(OC)(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	C(C[3x6]C[6,6]3)(OC)(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	108.2217	0.158	3	108.2217	0.025	3	108.5757	1.527	26	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]3)(OC[6a])(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	C(C[3x6]C[6,6]3)(OC[6a])(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	108.3860	0.000	1	108.3860	0.000	1	108.5757	1.527	26	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]3)(OH)(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	C(C[3x6]C[6,6]3)(OH)(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	107.8110	0.112	4	107.8110	0.013	4	108.5757	1.527	26	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]3)(OP)(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	C(C[3x6]C[6,6]3)(OP)(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	109.5480	0.000	1	109.5480	0.000	1	108.5757	1.527	26	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]3)(OS)(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	C(C[3x6]C[6,6]3)(OS)(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	108.3380	0.000	1	108.3380	0.000	1	108.5757	1.527	26	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]N[6,6]S[6,6])(OH)(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	C(C[3x6]C[6,6]N[6,6]S[6,6])(OH)(H)2	H(CC[3x6]HO)	H(CC[3x6]HO)	107.7790	0.000	1	107.7790	0.000	1	108.5757	1.527	26	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[3x6]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]3)(SH)(H)2	H(CC[3x6]HS)	H(CC[3x6]HS)	C(C[3x6]C[6,6]3)(SH)(H)2	H(CC[3x6]HS)	H(CC[3x6]HS)	107.2140	0.028	2	107.2140	0.001	2	107.2140	0.001	2	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4,4,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4,4,5]C[4,4,5]C[4,4,6]C[4,5])(OH)(H)2	H(CC[4,4,5]HO)	H(CC[4,4,5]HO)	C(C[4,4,5]C[4,4,5]C[4,4,6]C[4,5])(OH)(H)2	H(CC[4,4,5]HO)	H(CC[4,4,5]HO)	104.9510	0.000	1	104.9510	0.000	1	104.9510	0.000	1	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4,4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4,4]C[4,4]C[4,6]2)(OC[6])(H)2	H(CC[4,4]HO)	H(CC[4,4]HO)	C(C[4,4]C[4,4]C[4,6]2)(OC[6])(H)2	H(CC[4,4]HO)	H(CC[4,4]HO)	106.9265	0.500	2	106.9265	0.250	2	107.2313	0.250	4	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4,4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4,4]C[4,6a]2C[4,4])(OC[6])(H)2	H(CC[4,4]HO)	H(CC[4,4]HO)	C(C[4,4]C[4,6a]2C[4,4])(OC[6])(H)2	H(CC[4,4]HO)	H(CC[4,4]HO)	107.5360	0.361	2	107.5360	0.130	2	107.2313	0.250	4	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4,5,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4,5,5]C[5,5,6]C[4,5]O[4,5])(OC)(H)2	H(CC[4,5,5]HO)	H(CC[4,5,5]HO)	C(C[4,5,5]C[5,5,6]C[4,5]O[4,5])(OC)(H)2	H(CC[4,5,5]HO)	H(CC[4,5,5]HO)	107.9165	0.653	2	107.9165	0.426	2	107.9165	0.426	2	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4,5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4,5,6]C[4,5]C[4,6]C[5,6])(OC)(H)2	H(CC[4,5,6]HO)	H(CC[4,5,6]HO)	C(C[4,5,6]C[4,5]C[4,6]C[5,6])(OC)(H)2	H(CC[4,5,6]HO)	H(CC[4,5,6]HO)	108.2550	0.000	1	108.2550	0.000	1	108.2550	0.000	1	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[4,5]2S[5])(OH)(H)2	H(CC[4,5]HO)	H(CC[4,5]HO)	C(C[4,5]C[4,5]2S[5])(OH)(H)2	H(CC[4,5]HO)	H(CC[4,5]HO)	108.4977	0.280	4	108.4977	0.079	4	108.5411	0.310	9	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[4,5]C[4]N[5])(OH)(H)2	H(CC[4,5]HO)	H(CC[4,5]HO)	C(C[4,5]C[4,5]C[4]N[5])(OH)(H)2	H(CC[4,5]HO)	H(CC[4,5]HO)	108.0115	0.141	2	108.0115	0.020	2	108.5411	0.310	9	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[4,5]C[4]O[5])(OH)(H)2	H(CC[4,5]HO)	H(CC[4,5]HO)	C(C[4,5]C[4,5]C[4]O[5])(OH)(H)2	H(CC[4,5]HO)	H(CC[4,5]HO)	108.2430	0.000	1	108.2430	0.000	1	108.5411	0.310	9	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[4,5]O[4]O[5])(OC)(H)2	H(CC[4,5]HO)	H(CC[4,5]HO)	C(C[4,5]C[4,5]O[4]O[5])(OC)(H)2	H(CC[4,5]HO)	H(CC[4,5]HO)	109.3065	0.631	2	109.3065	0.399	2	108.5411	0.310	9	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4,6]C[4,6,6]2C)(OH)(H)2	H(CC[4,6]HO)	H(CC[4,6]HO)	C(C[4,6]C[4,6,6]2C)(OH)(H)2	H(CC[4,6]HO)	H(CC[4,6]HO)	107.6800	0.000	1	107.6800	0.000	1	107.6800	0.000	1	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2O)(CC)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2O)(CC)(H)2	H(CC[4]CH)	H(CC[4]CH)	108.5260	0.000	1	108.5260	0.000	1	108.5260	0.000	1	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:N-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2C)(NF)(H)2	H(CC[4]HN)	H(CC[4]HN)	C(C[4]C[4]2C)(NF)(H)2	H(CC[4]HN)	H(CC[4]HN)	109.7960	0.000	1	109.7960	0.000	1	109.7960	0.000	1	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[3,4]C[4,5]H)(OH)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[3,4]C[4,5]H)(OH)(H)2	H(CC[4]HO)	H(CC[4]HO)	108.4080	0.105	2	108.4080	0.011	2	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,5]C[4]H)(OC)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4,5]C[4]H)(OC)(H)2	H(CC[4]HO)	H(CC[4]HO)	108.0985	0.705	2	108.0985	0.497	2	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,5]C[4]H)(OC[6a])(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4,5]C[4]H)(OC[6a])(H)2	H(CC[4]HO)	H(CC[4]HO)	107.8471	0.865	13	107.8471	0.748	13	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,5]C[4]H)(OH)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4,5]C[4]H)(OH)(H)2	H(CC[4]HO)	H(CC[4]HO)	108.2190	0.000	1	108.2190	0.000	1	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,5]C[4]O)(OH)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4,5]C[4]O)(OH)(H)2	H(CC[4]HO)	H(CC[4]HO)	108.2180	0.000	1	108.2180	0.000	1	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6,6]C[4]H)(OH)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4,6,6]C[4]H)(OH)(H)2	H(CC[4]HO)	H(CC[4]HO)	108.0820	0.000	1	108.0820	0.000	1	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6]C[4]H)(OC)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4,6]C[4]H)(OC)(H)2	H(CC[4]HO)	H(CC[4]HO)	108.5060	0.000	1	108.5060	0.000	1	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6]C[4]H)(OH)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4,6]C[4]H)(OH)(H)2	H(CC[4]HO)	H(CC[4]HO)	107.6060	0.000	1	107.6060	0.000	1	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6]N[4]H)(OC)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4,6]N[4]H)(OC)(H)2	H(CC[4]HO)	H(CC[4]HO)	108.8050	0.000	1	108.8050	0.000	1	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6]N[4]H)(OH)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4,6]N[4]H)(OH)(H)2	H(CC[4]HO)	H(CC[4]HO)	108.2440	0.000	1	108.2440	0.000	1	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2C)(OC)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4]2C)(OC)(H)2	H(CC[4]HO)	H(CC[4]HO)	108.3495	0.408	2	108.3495	0.166	2	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2C)(OH)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4]2C)(OH)(H)2	H(CC[4]HO)	H(CC[4]HO)	108.1120	0.244	3	108.1120	0.059	3	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2C)(ON)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4]2C)(ON)(H)2	H(CC[4]HO)	H(CC[4]HO)	110.8264	1.230	8	110.8264	1.512	8	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2C[6])(OH)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4]2C[6])(OH)(H)2	H(CC[4]HO)	H(CC[4]HO)	108.0460	0.406	2	108.0460	0.165	2	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2H)(OC)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4]2H)(OC)(H)2	H(CC[4]HO)	H(CC[4]HO)	111.7155	4.413	2	111.7155	19.475	2	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2H)(OC[6a])(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4]2H)(OC[6a])(H)2	H(CC[4]HO)	H(CC[4]HO)	107.9300	0.159	4	107.9300	0.025	4	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2H)(OH)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4]2H)(OH)(H)2	H(CC[4]HO)	H(CC[4]HO)	108.0191	0.555	8	108.0191	0.309	8	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2H)(ON)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4]2H)(ON)(H)2	H(CC[4]HO)	H(CC[4]HO)	108.5174	0.407	7	108.5174	0.165	7	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2H)(OP)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4]2H)(OP)(H)2	H(CC[4]HO)	H(CC[4]HO)	108.1510	0.000	1	108.1510	0.000	1	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2N)(OSi)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4]2N)(OSi)(H)2	H(CC[4]HO)	H(CC[4]HO)	108.3040	1.063	5	108.3040	1.129	5	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]N[4]C)(OC[6a])(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4]N[4]C)(OC[6a])(H)2	H(CC[4]HO)	H(CC[4]HO)	108.2370	0.147	4	108.2370	0.022	4	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]N[4]C)(OH)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4]N[4]C)(OH)(H)2	H(CC[4]HO)	H(CC[4]HO)	108.1600	0.000	1	108.1600	0.000	1	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]N[4]H)(OC)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4]N[4]H)(OC)(H)2	H(CC[4]HO)	H(CC[4]HO)	108.3281	0.379	12	108.3281	0.144	12	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]N[4]H)(OH)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4]N[4]H)(OH)(H)2	H(CC[4]HO)	H(CC[4]HO)	107.9037	0.259	3	107.9037	0.067	3	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]N[4]H)(OSi)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4]N[4]H)(OSi)(H)2	H(CC[4]HO)	H(CC[4]HO)	107.9600	0.000	1	107.9600	0.000	1	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]O[4]C)(OC)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4]O[4]C)(OC)(H)2	H(CC[4]HO)	H(CC[4]HO)	108.4385	0.216	2	108.4385	0.047	2	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]O[4]H)(OC)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4]O[4]H)(OC)(H)2	H(CC[4]HO)	H(CC[4]HO)	108.7250	0.000	1	108.7250	0.000	1	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]O[4]H)(OH)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4]O[4]H)(OH)(H)2	H(CC[4]HO)	H(CC[4]HO)	107.8150	0.000	1	107.8150	0.000	1	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4]C[6a]C[4]O[4])(OH)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[6a]C[4]O[4])(OH)(H)2	H(CC[4]HO)	H(CC[4]HO)	107.8485	0.029	2	107.8485	0.001	2	108.4610	1.396	93	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[4x6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[4x6]C[4x6]2C[6,6])(OH)(H)2	H(CC[4x6]HO)	H(CC[4x6]HO)	C(C[4x6]C[4x6]2C[6,6])(OH)(H)2	H(CC[4x6]HO)	H(CC[4x6]HO)	107.6760	0.000	1	107.6760	0.000	1	107.6760	0.000	1	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CN)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CN)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	108.0750	0.000	1	108.0750	0.000	1	108.0750	0.000	1	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6]2C[5])(OH)(H)2	H(CC[5,5,6]HO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5,6]2C[5])(OH)(H)2	H(CC[5,5,6]HO)	H(CC[5,5,6]HO)	108.4880	0.000	1	108.4880	0.000	1	108.1813	0.709	29	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OC)(H)2	H(CC[5,5,6]HO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OC)(H)2	H(CC[5,5,6]HO)	H(CC[5,5,6]HO)	108.2290	0.086	2	108.2290	0.007	2	108.1813	0.709	29	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OH)(H)2	H(CC[5,5,6]HO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OH)(H)2	H(CC[5,5,6]HO)	H(CC[5,5,6]HO)	108.0029	1.348	8	108.0029	1.817	8	108.1813	0.709	29	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(OSi)(H)2	H(CC[5,5,6]HO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5]C[5,6]2)(OSi)(H)2	H(CC[5,5,6]HO)	H(CC[5,5,6]HO)	108.1475	0.018	2	108.1475	0.000	2	108.1813	0.709	29	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	H(CC[5,5,6]HO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	H(CC[5,5,6]HO)	H(CC[5,5,6]HO)	108.4844	0.938	7	108.4844	0.880	7	108.1813	0.709	29	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OS)(H)2	H(CC[5,5,6]HO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OS)(H)2	H(CC[5,5,6]HO)	H(CC[5,5,6]HO)	108.2120	0.000	1	108.2120	0.000	1	108.1813	0.709	29	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OSi)(H)2	H(CC[5,5,6]HO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OSi)(H)2	H(CC[5,5,6]HO)	H(CC[5,5,6]HO)	108.0480	0.000	1	108.0480	0.000	1	108.1813	0.709	29	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5a,6]C[5,5]O[5,6])(OH)(H)2	H(CC[5,5,6]HO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5a,6]C[5,5]O[5,6])(OH)(H)2	H(CC[5,5,6]HO)	H(CC[5,5,6]HO)	108.3085	0.103	2	108.3085	0.011	2	108.1813	0.709	29	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(OSi)(H)2	H(CC[5,5,6]HO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(OSi)(H)2	H(CC[5,5,6]HO)	H(CC[5,5,6]HO)	107.9440	0.000	1	107.9440	0.000	1	108.1813	0.709	29	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6]2N[5,5])(OC)(H)2	H(CC[5,5,6]HO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,6]2N[5,5])(OC)(H)2	H(CC[5,5,6]HO)	H(CC[5,5,6]HO)	108.2785	0.045	2	108.2785	0.002	2	108.1813	0.709	29	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6]2N[5,5])(OH)(H)2	H(CC[5,5,6]HO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,6]2N[5,5])(OH)(H)2	H(CC[5,5,6]HO)	H(CC[5,5,6]HO)	107.6125	0.233	2	107.6125	0.054	2	108.1813	0.709	29	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,6a]N[5,5]C[5])(CN)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[5,6a]N[5,5]C[5])(CN)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.9685	0.008	2	107.9685	0.000	2	107.9685	0.000	2	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[3,5,5]C[5,6a]2)(OH)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	C(C[5,5]C[3,5,5]C[5,6a]2)(OH)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	107.6090	0.000	1	107.6090	0.000	1	108.2969	1.595	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[3x5,6]2O)(OC)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	C(C[5,5]C[3x5,6]2O)(OC)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	108.3650	0.000	1	108.3650	0.000	1	108.2969	1.595	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(OC)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	C(C[5,5]C[5,5,6]2C)(OC)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	108.4805	0.260	2	108.4805	0.067	2	108.2969	1.595	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(OH)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	C(C[5,5]C[5,5,6]2C)(OH)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	108.0869	0.192	7	108.0869	0.037	7	108.2969	1.595	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6]C[5]O[5])(OC)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	C(C[5,5]C[5,5,6]C[5]O[5])(OC)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	107.9750	0.000	1	107.9750	0.000	1	108.2969	1.595	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6]C[5]O[5])(OH)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	C(C[5,5]C[5,5,6]C[5]O[5])(OH)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	108.2270	0.000	1	108.2270	0.000	1	108.2969	1.595	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]2C[5])(OH)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]2C[5])(OH)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	107.8285	0.071	2	107.8285	0.005	2	108.2969	1.595	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(OH)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]C[5]2)(OH)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	110.2573	3.226	3	110.2573	10.410	3	108.2969	1.595	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5]N[5])(OH)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]C[5]N[5])(OH)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	107.6940	0.000	1	107.6940	0.000	1	108.2969	1.595	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(OC)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]C[5]O[5])(OC)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	105.8420	0.129	2	105.8420	0.017	2	108.2969	1.595	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	108.3846	0.342	5	108.3846	0.117	5	108.2969	1.595	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(OS)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]C[5]O[5])(OS)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	108.8330	0.817	2	108.8330	0.668	2	108.2969	1.595	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]N[5,6]C[5])(OH)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]N[5,6]C[5])(OH)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	107.7390	0.000	1	107.7390	0.000	1	108.2969	1.595	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]O[5]2)(OC)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]O[5]2)(OC)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	108.0760	0.000	1	108.0760	0.000	1	108.2969	1.595	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]O[5]2)(OH)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]O[5]2)(OH)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	108.1350	0.327	2	108.1350	0.107	2	108.2969	1.595	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5]N[3x5]C[5]2)(OH)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	C(C[5,5]N[3x5]C[5]2)(OH)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	108.1110	0.000	1	108.1110	0.000	1	108.2969	1.595	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5]N[5,5,6]C[5]2)(OC)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	C(C[5,5]N[5,5,6]C[5]2)(OC)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	108.4320	0.000	1	108.4320	0.000	1	108.2969	1.595	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,5]N[5,5,6]C[5]2)(OH)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	C(C[5,5]N[5,5,6]C[5]2)(OH)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	110.6240	0.000	1	110.6240	0.000	1	108.2969	1.595	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3,5,6]C[5]C[6])(CC)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[3,5,6]C[5]C[6])(CC)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.8520	0.000	1	107.8520	0.000	1	108.7265	2.202	6	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CC)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	109.0773	2.117	3	109.0773	4.483	3	108.7265	2.202	6	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(CC)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]O[5,6]C[5]C[6])(CC)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.9690	0.000	1	107.9690	0.000	1	108.7265	2.202	6	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(CN)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]O[5,6]C[6]O[5])(CN)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	109.3060	0.000	1	109.3060	0.000	1	108.7265	2.202	6	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3,6]C[5,6]C[5])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[3,6]C[5,6]C[5])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	107.7770	0.000	1	107.7770	0.000	1	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3x5,6]C[5,6,6]C)(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[3x5,6]C[5,6,6]C)(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	107.9145	0.094	2	107.9145	0.009	2	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]2C)(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]2C)(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	107.6070	0.000	1	107.6070	0.000	1	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]Br)(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]Br)(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	107.7010	0.133	3	107.7010	0.018	3	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(OC)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]C)(OC)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	107.7420	0.458	3	107.7420	0.210	3	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C[6a])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]C[6a])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	108.3795	0.144	2	108.3795	0.021	2	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	107.7832	4.396	17	107.7832	19.324	17	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	107.6198	0.899	5	107.6198	0.807	5	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(OS)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]H)(OS)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	108.5410	0.266	2	108.5410	0.071	2	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5]C[6])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	108.0080	0.000	1	108.0080	0.000	1	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]P[5,5,6]H)(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]P[5,5,6]H)(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	110.2297	3.526	3	110.2297	12.431	3	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]P[5,5,6]H)(OP)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]P[5,5,6]H)(OP)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	106.4630	2.072	3	106.4630	4.292	3	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6,6]C[5,6]H)(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,6,6]C[5,6]H)(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	108.1200	0.000	1	108.1200	0.000	1	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6,6]C[6]O[5])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,6,6]C[6]O[5])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	102.9900	0.000	1	102.9900	0.000	1	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(OC)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]2C[6])(OC)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	108.3820	0.038	4	108.3820	0.001	4	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]2C[6])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	108.2490	0.000	1	108.2490	0.000	1	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]2H)(OC)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]2H)(OC)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	107.9500	0.000	1	107.9500	0.000	1	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]2O)(OC)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]2O)(OC)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	108.1640	0.000	1	108.1640	0.000	1	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	108.5866	0.772	5	108.5866	0.595	5	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	107.5686	0.845	7	107.5686	0.714	7	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(OC)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[6]O[5])(OC)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	108.2560	0.000	1	108.2560	0.000	1	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	108.5534	1.378	29	108.5534	1.899	29	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(OS)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[6]O[5])(OS)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	108.1290	0.000	1	108.1290	0.000	1	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(OSi)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[6]O[5])(OSi)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	107.8940	0.000	1	107.8940	0.000	1	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]N[5,6]C[6])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]N[5,6]C[6])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	107.7380	0.025	2	107.7380	0.001	2	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]O[5]O[6])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]O[5]O[6])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	107.8880	0.000	1	107.8880	0.000	1	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]O[5]O[6])(OS)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]O[5]O[6])(OS)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	108.3883	0.158	3	108.3883	0.025	3	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]2)(OC)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,6a]C[5,6]2)(OC)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	108.5460	0.000	1	108.5460	0.000	1	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]O[6])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,6a]C[5,6]O[6])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	107.9777	0.064	3	107.9777	0.004	3	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]O[6])(OS)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,6a]C[5,6]O[6])(OS)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	108.5630	0.000	1	108.5630	0.000	1	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5a,6]N[5,6]C[5])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5a,6]N[5,6]C[5])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	107.8250	0.000	1	107.8250	0.000	1	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(OC)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]N[5,6]C[5]C[6])(OC)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	109.4898	0.023	4	109.4898	0.001	4	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]N[5,6]C[5]C[6])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	107.2090	0.000	1	107.2090	0.000	1	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]N[5,6]C[6]N[5])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]N[5,6]C[6]N[5])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	108.1420	0.000	1	108.1420	0.000	1	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(OC)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]O[5,6]C[5]C[6])(OC)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	108.1690	0.000	1	108.1690	0.000	1	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(OSi)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]O[5,6]C[5]C[6])(OSi)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	107.7880	0.000	1	107.7880	0.000	1	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]O[5,6]C[6]O[5])(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	115.4610	0.000	1	115.4610	0.000	1	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]P[5,5,6]C[5,6]H)(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]P[5,5,6]C[5,6]H)(OH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	109.1955	0.899	2	109.1955	0.808	2	108.2155	4.524	119	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5,6]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(SC[6a])(H)2	H(CC[5,6]HS)	H(CC[5,6]HS)	C(C[5,6]C[5,5,6]C[5,6]C)(SC[6a])(H)2	H(CC[5,6]HS)	H(CC[5,6]HS)	107.7245	0.136	2	107.7245	0.019	2	107.7245	0.019	2	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6,6]O[5]H)(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6,6]O[5]H)(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7380	0.000	1	107.7380	0.000	1	107.7428	0.733	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]O[5]H)(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.4295	2.027	2	106.4295	4.110	2	107.7428	0.733	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2C)(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5550	0.000	1	107.5550	0.000	1	107.7428	0.733	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C[6a])(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,6]C[6a])(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8020	0.000	1	107.8020	0.000	1	107.7428	0.733	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7600	0.000	1	107.7600	0.000	1	107.7428	0.733	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7560	0.000	1	107.7560	0.000	1	107.7428	0.733	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	110.0860	0.000	1	110.0860	0.000	1	107.7428	0.733	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(CN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6970	0.061	2	107.6970	0.004	2	107.7428	0.733	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[6a]N[5])(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[6a]N[5])(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.2010	0.000	1	106.2010	0.000	1	107.7428	0.733	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5,5]H)(CN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5,5]H)(CN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9170	0.000	1	107.9170	0.000	1	107.7428	0.733	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]C)(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]C)(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.5770	1.751	2	106.5770	3.065	2	107.7428	0.733	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]H)(CN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]H)(CN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8880	0.000	1	107.8880	0.000	1	107.7428	0.733	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2C)(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8165	0.301	2	107.8165	0.090	2	107.7428	0.733	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(CN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2C)(CN)(H)2	H(CC[5]CH)	H(CC[5]CH)	109.4480	0.000	1	109.4480	0.000	1	107.7428	0.733	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(CN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Fe)(CN)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0480	0.000	1	108.0480	0.000	1	107.7428	0.733	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7248	0.180	4	107.7248	0.032	4	107.7428	0.733	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8910	0.000	1	107.8910	0.000	1	107.7428	0.733	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O)(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2O)(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9040	0.000	1	107.9040	0.000	1	107.7428	0.733	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7420	0.000	1	107.7420	0.000	1	107.7428	0.733	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9845	0.119	4	107.9845	0.014	4	107.7428	0.733	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9400	0.000	1	107.9400	0.000	1	107.7428	0.733	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8763	0.049	3	107.8763	0.002	3	107.7428	0.733	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]S)(CN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]S)(CN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8170	0.000	1	107.8170	0.000	1	107.7428	0.733	35	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:N-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]H)(NN)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,5]O[5]H)(NN)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.2420	0.000	1	108.2420	0.000	1	108.4695	1.968	23	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:N-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5,5a]C[6a])(NN)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,6a]N[5,5a]C[6a])(NN)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.1135	0.298	2	108.1135	0.089	2	108.4695	1.968	23	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:N-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Cl)(NN)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Cl)(NN)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.7930	0.000	1	108.7930	0.000	1	108.4695	1.968	23	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:N-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Co)(NC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Co)(NC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.7480	0.000	1	107.7480	0.000	1	108.4695	1.968	23	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:N-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.5760	0.000	1	107.5760	0.000	1	108.4695	1.968	23	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:N-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(NN)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2H)(NN)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.3493	0.077	3	108.3493	0.006	3	108.4695	1.968	23	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:N-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(NN)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NN)(H)2	H(CC[5]HN)	H(CC[5]HN)	109.4430	0.000	1	109.4430	0.000	1	108.4695	1.968	23	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:N-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(NS)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NS)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.2470	0.000	1	108.2470	0.000	1	108.4695	1.968	23	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:N-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(NC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.1350	1.553	4	107.1350	2.411	4	108.4695	1.968	23	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:N-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(NN)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NN)(H)2	H(CC[5]HN)	H(CC[5]HN)	109.3669	1.674	8	109.3669	2.804	8	108.4695	1.968	23	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5,5]N[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[3,5,5]N[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.1360	0.000	1	108.1360	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5,6]C[5]C)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[3,5,6]C[5]C)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.1300	0.000	1	108.1300	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]C[5,5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[3,5]C[5,5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.1250	0.477	2	108.1250	0.227	2	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]C[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[3,5]C[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.8930	0.000	1	108.8930	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]N[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[3,5]N[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.3315	0.200	2	108.3315	0.040	2	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]O[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[3,5]O[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.6260	0.000	1	108.6260	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]O[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[3,5]O[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	109.4730	0.000	1	109.4730	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[3]C[5]O[5])(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[3]C[5]O[5])(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.5830	0.000	1	108.5830	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[3x5]C[5]C)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[3x5]C[5]C)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.0020	0.000	1	108.0020	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[3x5]C[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[3x5]C[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.4670	0.000	1	108.4670	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[4,5]N[5]C)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[4,5]N[5]C)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	105.6310	0.000	1	105.6310	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[4,5]O[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[4,5]O[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.0625	0.644	4	108.0625	0.415	4	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[4,5]O[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[4,5]O[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.2063	0.135	3	108.2063	0.018	3	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[4]C[5]N[5])(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[4]C[5]N[5])(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.9390	0.000	1	107.9390	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[4]C[5]N[5])(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[4]C[5]N[5])(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.1550	0.000	1	108.1550	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[4]C[5]O[5])(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[4]C[5]O[5])(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.3330	0.070	3	108.3330	0.005	3	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5,6]O[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,5,6]O[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.4150	0.000	1	108.4150	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.0683	0.195	3	108.0683	0.038	3	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5,6]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,5]C[5,6]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	106.2270	0.000	1	106.2270	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]C)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,5]C[5]C)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.1490	0.000	1	108.1490	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]C)(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,5]C[5]C)(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.8520	0.000	1	107.8520	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,5]C[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.6946	1.170	5	108.6946	1.370	5	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,5]C[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	106.2510	2.194	3	106.2510	4.812	3	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(ON[6])(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,5]C[5]H)(ON[6])(H)2	H(CC[5]HO)	H(CC[5]HO)	108.6560	0.000	1	108.6560	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(OS)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,5]C[5]H)(OS)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.4850	0.000	1	108.4850	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]N)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,5]C[5]N)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.6385	0.141	2	107.6385	0.020	2	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]O)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,5]C[5]O)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.9780	2.534	2	107.9780	6.423	2	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]O)(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,5]C[5]O)(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.4170	0.000	1	108.4170	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]N[5,5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,5]N[5,5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.4130	0.000	1	108.4130	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]N[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,5]N[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.0760	0.087	3	108.0760	0.008	3	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.7291	1.025	9	108.7291	1.050	9	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.7301	1.388	15	108.7301	1.926	15	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]H)(OP)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OP)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.6670	0.082	2	108.6670	0.007	2	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]H)(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.7565	0.492	4	108.7565	0.242	4	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6,6]C[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,6,6]C[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.3800	0.000	1	108.3800	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]C)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,6]C[5]C)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.4940	0.000	1	108.4940	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]C)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,6]C[5]C)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.1080	0.252	2	108.1080	0.063	2	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.9203	1.493	13	108.9203	2.229	13	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.1327	0.244	7	108.1327	0.060	7	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]O)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,6]C[5]O)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.9827	0.294	4	107.9827	0.087	4	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]N[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,6]N[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	109.4710	0.000	1	109.4710	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]O[5]C)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,6]O[5]C)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.4580	0.701	6	108.4580	0.492	6	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]O[5]C)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,6]O[5]C)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.7360	0.000	1	107.7360	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]O[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,6]O[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.6210	0.630	4	108.6210	0.397	4	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]O[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,6]O[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.0417	0.210	3	108.0417	0.044	3	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]O[5]H)(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,6]O[5]H)(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.0860	0.000	1	108.0860	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,6a]2H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.8126	1.612	49	108.8126	2.598	49	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2H)(OC[5])(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,6a]2H)(OC[5])(H)2	H(CC[5]HO)	H(CC[5]HO)	109.4020	0.000	1	109.4020	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,6a]C[5]C)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.8150	0.204	6	107.8150	0.041	6	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]N[5])(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,6a]C[5]N[5])(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.8600	0.000	1	108.8600	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,6a]C[5]O)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.8302	1.298	5	108.8302	1.685	5	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(OO)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,6a]C[5]O)(OO)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.5810	0.000	1	107.5810	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.9228	0.176	5	107.9228	0.031	5	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[6a]O[5])(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,6a]C[6a]O[5])(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.8250	0.000	1	107.8250	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,6a]N[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.4110	0.000	1	108.4110	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]O[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5,6a]O[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.5090	0.004	2	108.5090	0.000	2	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2C)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.2702	0.201	15	108.2702	0.040	15	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2C)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.9092	0.334	25	107.9092	0.112	25	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(OS)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2C)(OS)(H)2	H(CC[5]HO)	H(CC[5]HO)	109.3690	0.000	1	109.3690	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2C)(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	109.0505	0.699	4	109.0505	0.489	4	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(OB[3x6])(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2Fe)(OB[3x6])(H)2	H(CC[5]HO)	H(CC[5]HO)	108.3400	0.000	1	108.3400	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2Fe)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.3960	1.446	17	108.3960	2.091	17	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2Fe)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.2369	0.792	8	108.2369	0.627	8	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.5380	0.858	20	108.5380	0.736	20	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(OC[5])(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2H)(OC[5])(H)2	H(CC[5]HO)	H(CC[5]HO)	107.6530	0.000	1	107.6530	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(OC[6a])(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2H)(OC[6a])(H)2	H(CC[5]HO)	H(CC[5]HO)	107.7600	0.025	2	107.7600	0.001	2	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.2045	2.437	47	108.2045	5.937	47	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(ON[6])(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2H)(ON[6])(H)2	H(CC[5]HO)	H(CC[5]HO)	108.1840	0.000	1	108.1840	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(OO)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2H)(OO)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.5010	0.000	1	107.5010	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(OS)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2H)(OS)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.5347	0.106	3	108.5347	0.011	3	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2H)(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	109.5713	1.597	3	109.5713	2.549	3	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ir)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2Ir)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.4030	0.459	4	108.4030	0.211	4	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2N)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2N)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.9695	0.231	2	107.9695	0.053	2	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2O)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.3720	0.505	12	108.3720	0.255	12	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2O)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.1690	0.311	4	108.1690	0.096	4	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O)(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2O)(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.4420	0.000	1	108.4420	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O[5])(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2O[5])(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.7680	0.000	1	107.7680	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O[5])(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2O[5])(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.4020	0.000	1	108.4020	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O[5])(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2O[5])(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.9470	0.000	1	107.9470	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Rh)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2Rh)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.3980	0.000	1	108.3980	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ru)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2Ru)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	109.1467	0.655	3	109.1467	0.429	3	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ru)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]2Ru)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.9393	0.132	4	107.9393	0.017	4	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]C[6]O[5])(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]C[6]O[5])(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.9530	0.000	1	107.9530	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.6186	0.568	9	108.6186	0.323	9	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.2336	0.719	10	108.2336	0.517	10	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	109.0635	1.432	2	109.0635	2.050	2	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.7621	1.428	44	108.7621	2.040	44	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(OC[6a])(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC[6a])(H)2	H(CC[5]HO)	H(CC[5]HO)	108.6316	0.186	5	108.6316	0.035	5	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.2610	1.038	44	108.2610	1.077	44	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(ON[6])(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(ON[6])(H)2	H(CC[5]HO)	H(CC[5]HO)	108.8560	0.000	1	108.8560	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(OS)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OS)(H)2	H(CC[5]HO)	H(CC[5]HO)	106.6570	0.000	1	106.6570	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.2760	0.000	1	108.2760	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.3099	0.338	7	108.3099	0.114	7	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.0207	0.608	23	108.0207	0.370	23	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(OS)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OS)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.5522	0.179	5	108.5522	0.032	5	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.1187	0.041	3	108.1187	0.002	3	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]F)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]O[5]F)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.1670	0.013	3	108.1670	0.000	3	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.4736	0.535	76	108.4736	0.286	76	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(OC[5])(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC[5])(H)2	H(CC[5]HO)	H(CC[5]HO)	108.6540	1.331	2	108.6540	1.771	2	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(OC[5a])(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC[5a])(H)2	H(CC[5]HO)	H(CC[5]HO)	109.4737	0.045	3	109.4737	0.002	3	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(OC[6])(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC[6])(H)2	H(CC[5]HO)	H(CC[5]HO)	108.4200	0.000	1	108.4200	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(OC[6a])(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	H(CC[5]HO)	H(CC[5]HO)	108.4407	0.340	18	108.4407	0.116	18	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.2427	2.074	310	108.2427	4.301	310	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(OP)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OP)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.4714	0.774	14	108.4714	0.599	14	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(OP[6])(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OP[6])(H)2	H(CC[5]HO)	H(CC[5]HO)	109.4700	0.000	1	109.4700	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OS)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.5594	0.435	19	108.5594	0.189	19	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.4138	0.722	18	108.4138	0.522	18	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]N)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]O[5]N)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.0800	0.000	1	108.0800	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]O)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]O[5]O)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.9883	0.225	3	107.9883	0.051	3	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]O)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]O[5]O)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.0982	0.352	13	108.0982	0.124	13	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]P[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]P[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.3070	0.000	1	108.3070	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]S[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	109.9900	7.025	3	109.9900	49.353	3	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5]H)(OC[6a])(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]S[5]H)(OC[6a])(H)2	H(CC[5]HO)	H(CC[5]HO)	108.5360	0.000	1	108.5360	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]S[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.8045	0.483	4	107.8045	0.233	4	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[6a]C[5]N[5])(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	109.3020	0.000	1	109.3020	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(OO)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[6a]C[5]N[5])(OO)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.4440	0.000	1	108.4440	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]O[5]2)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[6a]O[5]2)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.8030	0.000	1	107.8030	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]N[4,5]C[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]N[4,5]C[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.1040	0.000	1	108.1040	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]C[5]C)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]N[5,5]C[5]C)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.1225	0.180	2	108.1225	0.033	2	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]C[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]N[5,5]C[5]H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.2062	0.444	6	108.2062	0.197	6	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]C[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]N[5,5]C[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.4684	1.134	5	107.4684	1.287	5	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]C[5]H)(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]N[5,5]C[5]H)(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.3040	0.000	1	108.3040	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6]C[5]C)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]N[5,6]C[5]C)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.1490	0.000	1	108.1490	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6]C[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]N[5,6]C[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.3615	0.715	2	108.3615	0.511	2	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6]C[5]H)(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]N[5,6]C[5]H)(OSi)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.1410	0.000	1	108.1410	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6a]C[5,5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]N[5,6a]C[5,5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.0620	0.000	1	108.0620	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]N[6a]C[5]S[5])(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]N[6a]C[5]S[5])(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	111.2480	0.000	1	111.2480	0.000	1	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]S[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]O[5]S[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.2525	1.913	35	108.2525	3.661	35	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]S[5]2C)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]S[5]2C)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.8955	0.226	4	107.8955	0.051	4	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]S[5]2H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]S[5]2H)(OC)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.7850	6.935	3	107.7850	48.088	3	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]Se[5]C[5]H)(OC[6a])(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]Se[5]C[5]H)(OC[6a])(H)2	H(CC[5]HO)	H(CC[5]HO)	108.7217	0.199	20	108.7217	0.039	20	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[5]Se[5]C[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]Se[5]C[5]H)(OH)(H)2	H(CC[5]HO)	H(CC[5]HO)	109.8242	2.327	5	109.8242	5.413	5	108.3609	2.315	1118	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:P-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(PRu)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]2Fe)(PRu)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.7655	0.412	2	107.7655	0.170	2	107.7655	0.170	2	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]O)(SC[6a])(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5,5]C[5]O)(SC[6a])(H)2	H(CC[5]HS)	H(CC[5]HS)	107.7840	0.000	1	107.7840	0.000	1	108.0907	1.594	36	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]N[5]C)(SC)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5,5]N[5]C)(SC)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.7830	0.000	1	107.7830	0.000	1	108.0907	1.594	36	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]H)(SC[6])(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5,5]O[5]H)(SC[6])(H)2	H(CC[5]HS)	H(CC[5]HS)	107.5930	0.199	2	107.5930	0.040	2	108.0907	1.594	36	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(SC[6a])(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]2C)(SC[6a])(H)2	H(CC[5]HS)	H(CC[5]HS)	107.8730	0.000	1	107.8730	0.000	1	108.0907	1.594	36	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Co)(SC[6])(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]2Co)(SC[6])(H)2	H(CC[5]HS)	H(CC[5]HS)	107.7130	0.000	1	107.7130	0.000	1	108.0907	1.594	36	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(SC)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]2Fe)(SC)(H)2	H(CC[5]HS)	H(CC[5]HS)	108.7530	0.000	1	108.7530	0.000	1	108.0907	1.594	36	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(SC[5])(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]2Fe)(SC[5])(H)2	H(CC[5]HS)	H(CC[5]HS)	107.8340	0.214	2	107.8340	0.046	2	108.0907	1.594	36	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(SC[6a])(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]2Fe)(SC[6a])(H)2	H(CC[5]HS)	H(CC[5]HS)	108.4740	0.000	1	108.4740	0.000	1	108.0907	1.594	36	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(SP)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]2Fe)(SP)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.6290	0.000	1	107.6290	0.000	1	108.0907	1.594	36	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(SS)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]2Fe)(SS)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.5175	0.276	2	107.5175	0.076	2	108.0907	1.594	36	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(SC[6a])(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]2H)(SC[6a])(H)2	H(CC[5]HS)	H(CC[5]HS)	109.4928	3.537	4	109.4928	12.510	4	108.0907	1.594	36	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ru)(SS)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]2Ru)(SS)(H)2	H(CC[5]HS)	H(CC[5]HS)	108.0580	0.000	1	108.0580	0.000	1	108.0907	1.594	36	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2U)(SC[6a])(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]2U)(SC[6a])(H)2	H(CC[5]HS)	H(CC[5]HS)	108.3370	0.000	1	108.3370	0.000	1	108.0907	1.594	36	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(SC)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]N[5]H)(SC)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.4680	0.334	2	107.4680	0.111	2	108.0907	1.594	36	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(SC[5a])(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]N[5]H)(SC[5a])(H)2	H(CC[5]HS)	H(CC[5]HS)	107.6795	0.274	2	107.6795	0.075	2	108.0907	1.594	36	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(SC[6])(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]N[5]H)(SC[6])(H)2	H(CC[5]HS)	H(CC[5]HS)	109.4710	0.000	1	109.4710	0.000	1	108.0907	1.594	36	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(SC[6a])(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]N[5]H)(SC[6a])(H)2	H(CC[5]HS)	H(CC[5]HS)	107.7595	0.077	2	107.7595	0.006	2	108.0907	1.594	36	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(SS)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]N[5]H)(SS)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.7730	0.000	1	107.7730	0.000	1	108.0907	1.594	36	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(SC)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]O[5]H)(SC)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.9168	0.470	4	107.9168	0.221	4	108.0907	1.594	36	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(SC[6a])(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]O[5]H)(SC[6a])(H)2	H(CC[5]HS)	H(CC[5]HS)	107.6045	0.043	2	107.6045	0.002	2	108.0907	1.594	36	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(SH)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]O[5]H)(SH)(H)2	H(CC[5]HS)	H(CC[5]HS)	109.4030	0.000	1	109.4030	0.000	1	108.0907	1.594	36	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]C[5]H)(SC[6])(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]N[5,5]C[5]H)(SC[6])(H)2	H(CC[5]HS)	H(CC[5]HS)	108.5680	0.000	1	108.5680	0.000	1	108.0907	1.594	36	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]S[5]H)(SC)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]N[5]S[5]H)(SC)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.0970	0.000	1	107.0970	0.000	1	108.0907	1.594	36	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:Se-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[4,5]N[5,5]H)(SeC[6a])(H)2	H(CC[5]SeH)	H(CC[5]SeH)	C(C[5]C[4,5]N[5,5]H)(SeC[6a])(H)2	H(CC[5]SeH)	H(CC[5]SeH)	108.1435	0.008	2	108.1435	0.000	2	107.8339	0.075	11	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:Se-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]H)(SeC[6a])(H)2	H(CC[5]SeH)	H(CC[5]SeH)	C(C[5]C[5,6a]N[5]H)(SeC[6a])(H)2	H(CC[5]SeH)	H(CC[5]SeH)	107.4440	0.000	1	107.4440	0.000	1	107.8339	0.075	11	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:Se-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]O[5]H)(SeC[6a])(H)2	H(CC[5]SeH)	H(CC[5]SeH)	C(C[5]C[5,6a]O[5]H)(SeC[6a])(H)2	H(CC[5]SeH)	H(CC[5]SeH)	107.5875	0.054	2	107.5875	0.003	2	107.8339	0.075	11	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:Se-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(SeSe)(H)2	H(CC[5]SeH)	H(CC[5]SeH)	C(C[5]C[5]2Fe)(SeSe)(H)2	H(CC[5]SeH)	H(CC[5]SeH)	107.7095	0.196	2	107.7095	0.038	2	107.8339	0.075	11	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:Se-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(SeZn)(H)2	H(CC[5]SeH)	H(CC[5]SeH)	C(C[5]C[5]2Fe)(SeZn)(H)2	H(CC[5]SeH)	H(CC[5]SeH)	108.0607	0.119	3	108.0607	0.014	3	107.8339	0.075	11	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[5]-4:Se-2:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(SeC[6a])(H)2	H(CC[5]SeH)	H(CC[5]SeH)	C(C[5]C[6a]C[5]O[5])(SeC[6a])(H)2	H(CC[5]SeH)	H(CC[5]SeH)	107.6660	0.000	1	107.6660	0.000	1	107.8339	0.075	11	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6,6]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]C[6]2)(CN)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[6,6]C[6]2)(CN)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.8700	0.000	1	107.8700	0.000	1	107.8700	0.000	1	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3,6,6]C[6,6]C[6])(OC)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	C(C[6,6]C[3,6,6]C[6,6]C[6])(OC)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	108.5180	0.000	1	108.5180	0.000	1	108.0931	0.353	63	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3,6]C[6,6]C[6])(OC)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	C(C[6,6]C[3,6]C[6,6]C[6])(OC)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	110.0490	0.000	1	110.0490	0.000	1	108.0931	0.353	63	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3,6]C[6,6]C[6])(OH)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	C(C[6,6]C[3,6]C[6,6]C[6])(OH)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	108.1020	0.000	1	108.1020	0.000	1	108.0931	0.353	63	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]2H)(OH)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	C(C[6,6]C[3x6]2H)(OH)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	107.7345	0.013	2	107.7345	0.000	2	108.0931	0.353	63	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]2O)(OC)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	C(C[6,6]C[3x6]2O)(OC)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	108.0290	0.000	1	108.0290	0.000	1	108.0931	0.353	63	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]C[5a])(OH)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	C(C[6,6]C[3x6]C[6,6]C[5a])(OH)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	108.0980	0.117	2	108.0980	0.014	2	108.0931	0.353	63	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	C(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	108.4810	0.156	5	108.4810	0.024	5	108.0931	0.353	63	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(OC[6a])(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	C(C[6,6]C[3x6]C[6,6]H)(OC[6a])(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	106.0100	0.000	1	106.0100	0.000	1	108.0931	0.353	63	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	107.9159	0.267	16	107.9159	0.071	16	108.0931	0.353	63	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]O)(OC)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	C(C[6,6]C[3x6]C[6,6]O)(OC)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	108.2540	0.000	1	108.2540	0.000	1	108.0931	0.353	63	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[4x6]C[6,6]H)(OH)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	C(C[6,6]C[4x6]C[6,6]H)(OH)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	107.8133	0.173	3	107.8133	0.030	3	108.0931	0.353	63	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	108.2828	0.631	16	108.2828	0.399	16	108.0931	0.353	63	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6,6]C[6]2)(OH)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	C(C[6,6]C[5,6,6]C[6]2)(OH)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	108.1960	0.000	1	108.1960	0.000	1	108.0931	0.353	63	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6]C[6,6]C[6])(OC)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	C(C[6,6]C[5,6]C[6,6]C[6])(OC)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	108.1000	0.000	1	108.1000	0.000	1	108.0931	0.353	63	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]2C[6])(OC)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	C(C[6,6]C[6,6]2C[6])(OC)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	107.9805	0.122	2	107.9805	0.015	2	108.0931	0.353	63	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]2C[6])(OH)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	C(C[6,6]C[6,6]2C[6])(OH)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	107.7765	0.334	2	107.7765	0.112	2	108.0931	0.353	63	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	107.9640	0.000	1	107.9640	0.000	1	108.0931	0.353	63	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]C[6]2)(OH)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	C(C[6,6]C[6,6]C[6]2)(OH)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	108.4218	0.091	4	108.4218	0.008	4	108.0931	0.353	63	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]C[6]2)(OSi)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	C(C[6,6]C[6,6]C[6]2)(OSi)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	108.4040	0.000	1	108.4040	0.000	1	108.0931	0.353	63	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6,6]N[6,6]C[6]2)(OH)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	C(C[6,6]N[6,6]C[6]2)(OH)(H)2	H(CC[6,6]HO)	H(CC[6,6]HO)	106.3490	0.000	1	106.3490	0.000	1	108.0931	0.353	63	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6,6]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]C[6]2)(SC[6a])(H)2	H(CC[6,6]HS)	H(CC[6,6]HS)	C(C[6,6]C[6,6]C[6]2)(SC[6a])(H)2	H(CC[6,6]HS)	H(CC[6,6]HS)	107.8663	0.314	4	107.8663	0.099	4	107.8663	0.099	4	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]C)(CC)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]C)(CC)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6020	0.000	1	107.6020	0.000	1	108.0527	1.207	45	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(CC)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CC)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7290	0.000	1	107.7290	0.000	1	108.0527	1.207	45	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]C)(CN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7100	0.000	1	107.7100	0.000	1	108.0527	1.207	45	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(CN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CN)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.8752	1.080	6	108.8752	1.166	6	108.0527	1.207	45	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6,6]O)(CC)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6,6]O)(CC)(H)2	H(CC[6]CH)	H(CC[6]CH)	112.6620	0.000	1	112.6620	0.000	1	108.0527	1.207	45	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(CN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]C)(CN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8415	0.023	4	107.8415	0.001	4	108.0527	1.207	45	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(CC)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(CC)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.0110	1.655	3	108.0110	2.738	3	108.0527	1.207	45	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(CN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(CN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8237	0.048	3	107.8237	0.002	3	108.0527	1.207	45	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[5,6]H)(CN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]N[5,6]H)(CN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8420	0.153	2	107.8420	0.023	2	108.0527	1.207	45	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6]C)(CN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]N[6]C)(CN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7525	0.026	2	107.7525	0.001	2	108.0527	1.207	45	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6]H)(CC)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]N[6]H)(CC)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7550	0.000	1	107.7550	0.000	1	108.0527	1.207	45	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6]H)(CN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]N[6]H)(CN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8910	0.000	1	107.8910	0.000	1	108.0527	1.207	45	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CC)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CC)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8900	0.000	1	107.8900	0.000	1	108.0527	1.207	45	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CC)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CC)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5470	0.000	1	107.5470	0.000	1	108.0527	1.207	45	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3560	1.239	5	107.3560	1.535	5	108.0527	1.207	45	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O)(CC)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2O)(CC)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7425	0.126	4	107.7425	0.016	4	108.0527	1.207	45	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]C)(CN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]C)(CN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7390	0.000	1	107.7390	0.000	1	108.0527	1.207	45	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(CN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7900	0.000	1	107.7900	0.000	1	108.0527	1.207	45	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:	C(C[6]N[5,6]C[6]H)(CN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]N[5,6]C[6]H)(CN)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.1663	1.078	6	108.1663	1.162	6	108.0527	1.207	45	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:N-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(NN)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[5,6]C[6]H)(NN)(H)2	H(CC[6]HN)	H(CC[6]HN)	109.2360	1.310	2	109.2360	1.715	2	108.0468	1.847	23	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:N-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]C)(NC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6,6]C[6]C)(NC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9214	0.131	5	107.9214	0.017	5	108.0468	1.847	23	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:N-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(NC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2C)(NC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9333	4.173	3	107.9333	17.416	3	108.0468	1.847	23	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:N-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(NN)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2C)(NN)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.3510	0.000	1	108.3510	0.000	1	108.0468	1.847	23	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:N-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(NC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2H)(NC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8365	0.016	2	107.8365	0.000	2	108.0468	1.847	23	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:N-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O)(NC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2O)(NC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.7465	0.151	2	107.7465	0.023	2	108.0468	1.847	23	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:N-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(NC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]O[6]H)(NC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.0943	0.043	3	108.0943	0.002	3	108.0468	1.847	23	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:N-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(NN)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]O[6]H)(NN)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8794	0.365	5	107.8794	0.133	5	108.0468	1.847	23	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,6]C[5,6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[3,6]C[5,6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.0980	0.027	2	108.0980	0.001	2	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,6]C[6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[3,6]C[6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.4770	0.000	1	108.4770	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[3x6]C[6]2)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[3x6]C[6]2)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.9960	0.000	1	107.9960	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[3x6]C[6]O)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[3x6]C[6]O)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.3390	0.000	1	108.3390	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[4,6]C[6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[4,6]C[6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.8210	0.000	1	107.8210	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[4,6]C[6]H)(OSi)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[4,6]C[6]H)(OSi)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.2270	0.000	1	108.2270	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,5,6]C[6]H)(OSi)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5,5,6]C[6]H)(OSi)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.2160	0.000	1	108.2160	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6,6]C[6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5,6,6]C[6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.8670	0.839	3	107.8670	0.703	3	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]2C)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5,6]2C)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.6910	0.095	2	107.6910	0.009	2	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6,6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5,6]C[6,6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.1840	0.000	1	107.1840	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6,6]O)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5,6]C[6,6]O)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.9410	0.000	1	107.9410	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]C)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5,6]C[6]C)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.6213	0.047	3	107.6213	0.002	3	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]C)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5,6]C[6]C)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.6700	0.000	1	107.6700	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5,6]C[6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.5014	0.074	5	108.5014	0.006	5	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5,6]C[6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.9181	0.179	9	107.9181	0.032	9	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(OSi)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5,6]C[6]H)(OSi)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.2650	0.094	3	108.2650	0.009	3	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]O)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5,6]C[6]O)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	109.4140	0.000	1	109.4140	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]O)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5,6]C[6]O)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.7960	0.117	2	107.7960	0.014	2	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]N[6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5,6]N[6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.2797	0.211	7	108.2797	0.044	7	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]O[6]C)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5,6]O[6]C)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	110.8750	0.000	1	110.8750	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]O[6]C)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5,6]O[6]C)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.0410	0.000	1	108.0410	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]O[6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5,6]O[6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.5383	0.139	9	108.5383	0.019	9	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]O[6]H)(OC[5])(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5,6]O[6]H)(OC[5])(H)2	H(CC[6]HO)	H(CC[6]HO)	108.4840	0.000	1	108.4840	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]O[6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5,6]O[6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.3844	1.015	16	108.3844	1.030	16	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]O[6]H)(OP)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5,6]O[6]H)(OP)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.5467	0.159	10	108.5467	0.025	10	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[5,6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5a,6]C[5,6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.3240	0.000	1	108.3240	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6,6]C)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5a,6]C[6,6]C)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.7650	0.000	1	107.7650	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6,6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5a,6]C[6,6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.1637	0.300	4	108.1637	0.090	4	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6,6]H)(OSi)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5a,6]C[6,6]H)(OSi)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.0970	0.000	1	108.0970	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6]C)(OC[6a])(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[5a,6]C[6]C)(OC[6a])(H)2	H(CC[6]HO)	H(CC[6]HO)	108.2550	0.000	1	108.2550	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]2H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6,6]2H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.1980	0.472	2	108.1980	0.223	2	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]C)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6,6]C[6]C)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.8232	1.906	16	107.8232	3.634	16	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]C)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6,6]C[6]C)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.9374	0.553	26	107.9374	0.306	26	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]C)(OSi)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6,6]C[6]C)(OSi)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.9510	0.098	2	107.9510	0.010	2	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6,6]C[6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.2784	0.380	7	108.2784	0.144	7	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(OC[5])(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6,6]C[6]H)(OC[5])(H)2	H(CC[6]HO)	H(CC[6]HO)	107.4400	0.000	1	107.4400	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6,6]C[6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.6958	0.182	4	107.6958	0.033	4	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]O)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6,6]C[6]O)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.9510	0.000	1	107.9510	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]N[6,6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6,6]N[6,6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.4910	0.000	1	107.4910	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]O[6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6,6]O[6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.1425	0.047	2	108.1425	0.002	2	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]O[6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6,6]O[6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.8380	0.048	2	107.8380	0.002	2	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[5,6]C)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6,6a]C[5,6]C)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.7000	0.000	1	107.7000	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[5,6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6,6a]C[5,6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.0623	0.415	3	108.0623	0.173	3	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6,6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6,6a]C[6,6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.3310	0.000	1	108.3310	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(OC[6a])(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6,6a]C[6]C)(OC[6a])(H)2	H(CC[6]HO)	H(CC[6]HO)	107.8080	0.000	1	107.8080	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6,6a]C[6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.3738	0.395	4	108.3738	0.156	4	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(OS)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6,6a]C[6]H)(OS)(H)2	H(CC[6]HO)	H(CC[6]HO)	109.5540	1.248	3	109.5540	1.557	3	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6,6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6,6a]N[6,6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.5000	0.000	1	108.5000	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6]C)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6,6a]N[6]C)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	105.9140	0.000	1	105.9140	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6,6a]N[6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.4900	2.071	4	108.4900	4.288	4	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]O[6]C)(OS)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6,6a]O[6]C)(OS)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.3210	0.000	1	108.3210	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Br)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2Br)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.2650	0.000	1	108.2650	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2C)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.2988	0.179	16	108.2988	0.032	16	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2C)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.9699	0.436	16	107.9699	0.190	16	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(OP[6])(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2C)(OP[6])(H)2	H(CC[6]HO)	H(CC[6]HO)	107.8450	0.000	1	107.8450	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(OS)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2C)(OS)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.9055	0.675	2	108.9055	0.456	2	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(OSi)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2C)(OSi)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.8460	0.000	1	107.8460	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Cl)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2Cl)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.8705	0.104	2	107.8705	0.011	2	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Cr)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2Cr)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.3948	3.209	8	108.3948	10.297	8	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.3032	0.340	24	108.3032	0.116	24	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(OC[6a])(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2H)(OC[6a])(H)2	H(CC[6]HO)	H(CC[6]HO)	107.8116	1.708	16	107.8116	2.917	16	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.9008	0.938	45	107.9008	0.880	45	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(OS)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2H)(OS)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.2747	0.136	4	108.2747	0.019	4	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(OSi)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2H)(OSi)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.3920	0.586	6	108.3920	0.344	6	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2N)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2N)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.4900	0.000	1	108.4900	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2O)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.4823	0.301	7	108.4823	0.090	7	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2O)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.9784	0.323	5	107.9784	0.104	5	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2P)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2P)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.3140	0.109	2	108.3140	0.012	2	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Ru)(OP)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]2Ru)(OP)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.1790	0.000	1	108.1790	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]3)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]3)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.1680	0.000	1	108.1680	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.6134	0.563	8	108.6134	0.317	8	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.2792	0.779	29	108.2792	0.606	29	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(OS)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6]H)(OS)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.1662	0.627	4	108.1662	0.393	4	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(OSi)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]N[6]H)(OSi)(H)2	H(CC[6]HO)	H(CC[6]HO)	109.2710	1.314	3	109.2710	1.725	3	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]C)(OC[6a])(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]O[6]C)(OC[6a])(H)2	H(CC[6]HO)	H(CC[6]HO)	106.9250	0.000	1	106.9250	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]C)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]O[6]C)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.5056	1.561	9	107.5056	2.436	9	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]O[6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.4333	1.189	280	108.4333	1.414	280	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(OC[5])(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]O[6]H)(OC[5])(H)2	H(CC[6]HO)	H(CC[6]HO)	107.4320	0.000	1	107.4320	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(OC[6])(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]O[6]H)(OC[6])(H)2	H(CC[6]HO)	H(CC[6]HO)	108.3427	0.152	3	108.3427	0.023	3	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(OC[6a])(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]O[6]H)(OC[6a])(H)2	H(CC[6]HO)	H(CC[6]HO)	107.8970	1.520	6	107.8970	2.311	6	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]O[6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.2157	1.245	286	108.2157	1.550	286	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(OS)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]O[6]H)(OS)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.4523	0.205	7	108.4523	0.042	7	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(OSi)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]O[6]H)(OSi)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.2206	0.310	12	108.2206	0.096	12	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]O)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]O[6]O)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	109.2510	0.000	1	109.2510	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]O)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]O[6]O)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.0703	0.547	12	108.0703	0.299	12	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]S[6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]S[6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.7600	0.000	1	108.7600	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]S[6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6]S[6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.0155	0.336	6	108.0155	0.113	6	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6a]C[6]2)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6a]C[6]2)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.7153	0.923	6	108.7153	0.852	6	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6a]O[6]2)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6a]O[6]2)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.0905	0.119	6	108.0905	0.014	6	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6a]O[6]2)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6a]O[6]2)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.7363	0.281	3	107.7363	0.079	3	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6a]S[6]2)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]C[6a]S[6]2)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.2630	0.000	1	108.2630	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]N[5,6]C[6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]N[5,6]C[6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.6620	0.000	1	107.6620	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]N[5,6]C[6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]N[5,6]C[6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.5434	1.955	7	108.5434	3.821	7	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]N[6,6]C[6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]N[6,6]C[6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.4772	0.375	4	108.4772	0.141	4	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]N[6,6]C[6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]N[6,6]C[6]H)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.1523	0.297	8	108.1523	0.088	8	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]N[6,6a]C[6,6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]N[6,6a]C[6,6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.9200	0.000	1	107.9200	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]2C)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]N[6]2C)(OH)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.9440	0.065	2	107.9440	0.004	2	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]O[6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]N[6]O[6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	107.6500	0.000	1	107.6500	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]S[6]2H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]S[6]2H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	106.4510	0.000	1	106.4510	0.000	1	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(C[6]Se[6]C[6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	C(C[6]Se[6]C[6]H)(OC)(H)2	H(CC[6]HO)	H(CC[6]HO)	108.4730	0.127	2	108.4730	0.016	2	108.2454	1.212	1047	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6]C)(SC[6])(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6,6a]N[6]C)(SC[6])(H)2	H(CC[6]HS)	H(CC[6]HS)	107.7710	0.000	1	107.7710	0.000	1	108.4371	2.245	17	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(SC)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]2C)(SC)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.4130	0.000	1	107.4130	0.000	1	108.4371	2.245	17	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(SC[6a])(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]2H)(SC[6a])(H)2	H(CC[6]HS)	H(CC[6]HS)	107.7085	0.097	2	107.7085	0.009	2	108.4371	2.245	17	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(SC[6a])(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6]H)(SC[6a])(H)2	H(CC[6]HS)	H(CC[6]HS)	107.9133	0.342	4	107.9133	0.117	4	108.4371	2.245	17	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(SMo)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6]H)(SMo)(H)2	H(CC[6]HS)	H(CC[6]HS)	108.4160	0.000	1	108.4160	0.000	1	108.4371	2.245	17	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(SC)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]O[6]H)(SC)(H)2	H(CC[6]HS)	H(CC[6]HS)	109.2572	2.965	4	109.2572	8.791	4	108.4371	2.245	17	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(SMo)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]O[6]H)(SMo)(H)2	H(CC[6]HS)	H(CC[6]HS)	109.4560	0.000	1	109.4560	0.000	1	108.4371	2.245	17	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(SW)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]O[6]H)(SW)(H)2	H(CC[6]HS)	H(CC[6]HS)	109.6920	0.000	1	109.6920	0.000	1	108.4371	2.245	17	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]S[6]H)(SC[6a])(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]S[6]H)(SC[6a])(H)2	H(CC[6]HS)	H(CC[6]HS)	107.9860	0.000	1	107.9860	0.000	1	108.4371	2.245	17	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:S-2:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]2H)(SC)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]N[6]2H)(SC)(H)2	H(CC[6]HS)	H(CC[6]HS)	108.5970	0.000	1	108.5970	0.000	1	108.4371	2.245	17	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	C[6]-4:Se-2:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(SeC[6a])(H)2	H(CC[6]SeH)	H(CC[6]SeH)	C(C[6]C[6]O[6]H)(SeC[6a])(H)2	H(CC[6]SeH)	H(CC[6]SeH)	108.3600	0.000	1	108.3600	0.000	1	108.3600	0.000	1	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	Ge-4:C-2:H-1:H-1:	C-4:	C-4:	C(GeC[6a]3)(CN)(H)2	H(CGeCH)	H(CGeCH)	C(GeC[6a]3)(CN)(H)2	H(CGeCH)	H(CGeCH)	107.3240	0.000	1	107.3240	0.000	1	107.3240	0.000	1	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	Ge-4:O-2:H-1:H-1:	C-4:	C-4:	C(GeO3)(OC)(H)2	H(CGeHO)	H(CGeHO)	C(GeO3)(OC)(H)2	H(CGeHO)	H(CGeHO)	107.9290	0.000	1	107.9290	0.000	1	107.9290	0.000	1	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	N-4:C-2:H-1:H-1:	C-4:	C-4:	C(NB[5x3,5x5,20x6]CC)(CC)(H)2	H(CCHN)	H(CCHN)	C(NB[5x3,5x5,20x6]CC)(CC)(H)2	H(CCHN)	H(CCHN)	107.5475	0.108	2	107.5475	0.012	2	108.1501	2.408	54	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	N-4:C-2:H-1:H-1:	C-4:	C-4:	C(NC3)(CC)(H)2	H(CCHN)	H(CCHN)	C(NC3)(CC)(H)2	H(CCHN)	H(CCHN)	107.5600	0.340	3	107.5600	0.116	3	108.1501	2.408	54	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	N-4:C-2:H-1:H-1:	C-4:	C-4:	C(NCCH)(CC)(H)2	H(CCHN)	H(CCHN)	C(NCCH)(CC)(H)2	H(CCHN)	H(CCHN)	108.7705	0.474	2	108.7705	0.225	2	108.1501	2.408	54	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	N-4:C-2:H-1:H-1:	C-4:	C-4:	C(NCCH)(CN)(H)2	H(CCHN)	H(CCHN)	C(NCCH)(CN)(H)2	H(CCHN)	H(CCHN)	107.8097	0.155	3	107.8097	0.024	3	108.1501	2.408	54	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	N-4:C-2:H-1:H-1:	C-4:	C-4:	C(NCHH)(CC)(H)2	H(CCHN)	H(CCHN)	C(NCHH)(CC)(H)2	H(CCHN)	H(CCHN)	108.1595	0.022	2	108.1595	0.000	2	108.1501	2.408	54	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	N-4:C-2:H-1:H-1:	C-4:	C-4:	C(NCoHH)(CC)(H)2	H(CCHN)	H(CCHN)	C(NCoHH)(CC)(H)2	H(CCHN)	H(CCHN)	118.7080	0.000	1	118.7080	0.000	1	108.1501	2.408	54	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	N-4:C-2:H-1:H-1:	C-4:	C-4:	C(NCuCC)(CC)(H)2	H(CCHN)	H(CCHN)	C(NCuCC)(CC)(H)2	H(CCHN)	H(CCHN)	108.2104	0.657	12	108.2104	0.432	12	108.1501	2.408	54	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	N-4:C-2:H-1:H-1:	C-4:	C-4:	C(NCuCC)(CN)(H)2	H(CCHN)	H(CCHN)	C(NCuCC)(CN)(H)2	H(CCHN)	H(CCHN)	107.0110	0.000	1	107.0110	0.000	1	108.1501	2.408	54	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	N-4:C-2:H-1:H-1:	C-4:	C-4:	C(NCuCH)(CC)(H)2	H(CCHN)	H(CCHN)	C(NCuCH)(CC)(H)2	H(CCHN)	H(CCHN)	107.4920	0.000	1	107.4920	0.000	1	108.1501	2.408	54	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	N-4:C-2:H-1:H-1:	C-4:	C-4:	C(NFeCC)(CC)(H)2	H(CCHN)	H(CCHN)	C(NFeCC)(CC)(H)2	H(CCHN)	H(CCHN)	107.8028	0.175	8	107.8028	0.030	8	108.1501	2.408	54	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	N-4:C-2:H-1:H-1:	C-4:	C-4:	C(NH3)(CN)(H)2	H(CCHN)	H(CCHN)	C(NH3)(CN)(H)2	H(CCHN)	H(CCHN)	107.9283	0.137	4	107.9283	0.019	4	108.1501	2.408	54	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	N-4:C-2:H-1:H-1:	C-4:	C-4:	C(NMnCC)(CC)(H)2	H(CCHN)	H(CCHN)	C(NMnCC)(CC)(H)2	H(CCHN)	H(CCHN)	108.3988	0.832	4	108.3988	0.692	4	108.1501	2.408	54	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	N-4:C-2:H-1:H-1:	C-4:	C-4:	C(NPdHH)(CN)(H)2	H(CCHN)	H(CCHN)	C(NPdHH)(CN)(H)2	H(CCHN)	H(CCHN)	108.3650	0.000	1	108.3650	0.000	1	108.1501	2.408	54	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	N-4:C-2:H-1:H-1:	C-4:	C-4:	C(NReCC)(CC)(H)2	H(CCHN)	H(CCHN)	C(NReCC)(CC)(H)2	H(CCHN)	H(CCHN)	107.8590	0.086	2	107.8590	0.007	2	108.1501	2.408	54	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	N-4:C-2:H-1:H-1:	C-4:	C-4:	C(NReHH)(CC)(H)2	H(CCHN)	H(CCHN)	C(NReHH)(CC)(H)2	H(CCHN)	H(CCHN)	108.2980	0.000	1	108.2980	0.000	1	108.1501	2.408	54	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	N-4:C-2:H-1:H-1:	C-4:	C-4:	C(NZnCC)(CC)(H)2	H(CCHN)	H(CCHN)	C(NZnCC)(CC)(H)2	H(CCHN)	H(CCHN)	107.5994	0.139	7	107.5994	0.019	7	108.1501	2.408	54	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	N-4:O-2:H-1:H-1:	C-4:	C-4:	C(NCoCH)(OC)(H)2	H(CHNO)	H(CHNO)	C(NCoCH)(OC)(H)2	H(CHNO)	H(CHNO)	109.4660	0.033	2	109.4660	0.001	2	109.0447	0.533	3	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	N-4:O-2:H-1:H-1:	C-4:	C-4:	C(NCuCC)(OC)(H)2	H(CHNO)	H(CHNO)	C(NCuCC)(OC)(H)2	H(CHNO)	H(CHNO)	108.2020	0.000	1	108.2020	0.000	1	109.0447	0.533	3	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	N[3x6]-4:C-2:H-1:H-1:	C-4:	C-4:	C(N[3x6]C[6,6]3)(CN)(H)2	H(CN[3x6]CH)	H(CN[3x6]CH)	C(N[3x6]C[6,6]3)(CN)(H)2	H(CN[3x6]CH)	H(CN[3x6]CH)	107.9299	0.128	7	107.9299	0.017	7	107.9299	0.017	7	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	N[3x6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(N[3x6]C[6,6]3)(OH)(H)2	H(CN[3x6]HO)	H(CN[3x6]HO)	C(N[3x6]C[6,6]3)(OH)(H)2	H(CN[3x6]HO)	H(CN[3x6]HO)	107.9790	0.000	1	107.9790	0.000	1	107.9790	0.000	1	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	N[6]-4:C-2:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2C)(CN)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2C)(CN)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.9665	0.030	2	107.9665	0.001	2	107.9665	0.001	2	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:C-2:H-1:H-1:	C-4:	C-4:	C(PC[6a]3)(CN)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]3)(CN)(H)2	H(CCHP)	H(CCHP)	107.5940	0.000	1	107.5940	0.000	1	107.5940	0.000	1	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:N-2:H-1:H-1:	C-4:	C-4:	C(PC[6a]NiC)(NC)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]NiC)(NC)(H)2	H(CHNP)	H(CHNP)	108.1380	0.260	2	108.1380	0.068	2	108.1380	0.068	2	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PBCC)(OH)(H)2	H(CHOP)	H(CHOP)	C(PBCC)(OH)(H)2	H(CHOP)	H(CHOP)	111.6025	5.194	2	111.6025	26.975	2	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PBCO)(OH)(H)2	H(CHOP)	H(CHOP)	C(PBCO)(OH)(H)2	H(CHOP)	H(CHOP)	107.3505	0.080	2	107.3505	0.006	2	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PC3)(OAl)(H)2	H(CHOP)	H(CHOP)	C(PC3)(OAl)(H)2	H(CHOP)	H(CHOP)	107.9560	0.000	1	107.9560	0.000	1	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PC3)(OC)(H)2	H(CHOP)	H(CHOP)	C(PC3)(OC)(H)2	H(CHOP)	H(CHOP)	108.5280	0.086	2	108.5280	0.007	2	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PC3)(OH)(H)2	H(CHOP)	H(CHOP)	C(PC3)(OH)(H)2	H(CHOP)	H(CHOP)	107.9527	0.288	7	107.9527	0.083	7	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PC3)(OSb)(H)2	H(CHOP)	H(CHOP)	C(PC3)(OSb)(H)2	H(CHOP)	H(CHOP)	107.9120	0.000	1	107.9120	0.000	1	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PCCO)(OH)(H)2	H(CHOP)	H(CHOP)	C(PCCO)(OH)(H)2	H(CHOP)	H(CHOP)	107.7605	0.746	2	107.7605	0.557	2	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PCCO)(ON)(H)2	H(CHOP)	H(CHOP)	C(PCCO)(ON)(H)2	H(CHOP)	H(CHOP)	107.8531	9.801	3	107.8531	96.062	3	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PCOO)(OC)(H)2	H(CHOP)	H(CHOP)	C(PCOO)(OC)(H)2	H(CHOP)	H(CHOP)	108.2270	0.000	1	108.2270	0.000	1	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PCOO)(OH)(H)2	H(CHOP)	H(CHOP)	C(PCOO)(OH)(H)2	H(CHOP)	H(CHOP)	108.3800	0.000	1	108.3800	0.000	1	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PC[6]RuC)(OH)(H)2	H(CHOP)	H(CHOP)	C(PC[6]RuC)(OH)(H)2	H(CHOP)	H(CHOP)	109.4324	0.036	5	109.4324	0.001	5	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Au)(OC[6a])(H)2	H(CHOP)	H(CHOP)	C(PC[6a]2Au)(OC[6a])(H)2	H(CHOP)	H(CHOP)	107.9183	0.444	6	107.9183	0.198	6	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cu)(OH)(H)2	H(CHOP)	H(CHOP)	C(PC[6a]2Cu)(OH)(H)2	H(CHOP)	H(CHOP)	108.0640	0.409	2	108.0640	0.167	2	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PC[6a]2O)(OH)(H)2	H(CHOP)	H(CHOP)	C(PC[6a]2O)(OH)(H)2	H(CHOP)	H(CHOP)	108.0430	0.000	1	108.0430	0.000	1	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(OH)(H)2	H(CHOP)	H(CHOP)	C(PC[6a]2Ru)(OH)(H)2	H(CHOP)	H(CHOP)	109.9147	0.852	3	109.9147	0.727	3	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(OP)(H)2	H(CHOP)	H(CHOP)	C(PC[6a]2Ru)(OP)(H)2	H(CHOP)	H(CHOP)	108.4410	0.239	5	108.4410	0.057	5	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PC[6a]3)(OB[6,6])(H)2	H(CHOP)	H(CHOP)	C(PC[6a]3)(OB[6,6])(H)2	H(CHOP)	H(CHOP)	108.5000	0.000	1	108.5000	0.000	1	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PC[6a]3)(OSb)(H)2	H(CHOP)	H(CHOP)	C(PC[6a]3)(OSb)(H)2	H(CHOP)	H(CHOP)	108.0050	0.000	1	108.0050	0.000	1	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[6]O)(OC[6a])(H)2	H(CHOP)	H(CHOP)	C(PC[6a]C[6]O)(OC[6a])(H)2	H(CHOP)	H(CHOP)	107.3700	0.038	2	107.3700	0.001	2	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PC[6a]FeC)(OH)(H)2	H(CHOP)	H(CHOP)	C(PC[6a]FeC)(OH)(H)2	H(CHOP)	H(CHOP)	107.9587	0.293	6	107.9587	0.086	6	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PC[6a]ReC)(OH)(H)2	H(CHOP)	H(CHOP)	C(PC[6a]ReC)(OH)(H)2	H(CHOP)	H(CHOP)	109.9117	0.215	3	109.9117	0.046	3	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PFeCC)(OH)(H)2	H(CHOP)	H(CHOP)	C(PFeCC)(OH)(H)2	H(CHOP)	H(CHOP)	108.3373	0.985	20	108.3373	0.971	20	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PNOO)(OC)(H)2	H(CHOP)	H(CHOP)	C(PNOO)(OC)(H)2	H(CHOP)	H(CHOP)	108.8790	0.000	1	108.8790	0.000	1	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PNOO)(OH)(H)2	H(CHOP)	H(CHOP)	C(PNOO)(OH)(H)2	H(CHOP)	H(CHOP)	108.2215	0.159	2	108.2215	0.025	2	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PO3)(OC)(H)2	H(CHOP)	H(CHOP)	C(PO3)(OC)(H)2	H(CHOP)	H(CHOP)	106.2947	3.398	3	106.2947	11.543	3	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PReCC)(OH)(H)2	H(CHOP)	H(CHOP)	C(PReCC)(OH)(H)2	H(CHOP)	H(CHOP)	107.9580	0.430	2	107.9580	0.185	2	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PRhCC)(OH)(H)2	H(CHOP)	H(CHOP)	C(PRhCC)(OH)(H)2	H(CHOP)	H(CHOP)	107.8759	0.195	8	107.8759	0.038	8	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:O-2:H-1:H-1:	C-4:	C-4:	C(PRhCC)(OP)(H)2	H(CHOP)	H(CHOP)	C(PRhCC)(OP)(H)2	H(CHOP)	H(CHOP)	108.3250	0.000	1	108.3250	0.000	1	108.2969	3.564	94	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P-4:S-2:H-1:H-1:	C-4:	C-4:	C(PC[6a]2S)(SC[6a])(H)2	H(CHPS)	H(CHPS)	C(PC[6a]2S)(SC[6a])(H)2	H(CHPS)	H(CHPS)	108.4530	0.000	1	108.4530	0.000	1	108.4530	0.000	1	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P[5]-4:O-2:H-1:H-1:	C-4:	C-4:	C(P[5]C[5]2O)(OC[6])(H)2	H(CP[5]HO)	H(CP[5]HO)	C(P[5]C[5]2O)(OC[6])(H)2	H(CP[5]HO)	H(CP[5]HO)	108.3400	0.000	1	108.3400	0.000	1	108.3400	0.000	1	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P[6,6]-4:O-2:H-1:H-1:	C-4:	C-4:	C(P[6,6]C[6,6]2C)(OH)(H)2	H(CP[6,6]HO)	H(CP[6,6]HO)	C(P[6,6]C[6,6]2C)(OH)(H)2	H(CP[6,6]HO)	H(CP[6,6]HO)	108.3365	0.016	2	108.3365	0.000	2	108.3365	0.000	2	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	P[6]-4:S-2:H-1:H-1:	C-4:	C-4:	C(P[6]C[6a]N[6]2)(SC)(H)2	H(CP[6]HS)	H(CP[6]HS)	C(P[6]C[6a]N[6]2)(SC)(H)2	H(CP[6]HS)	H(CP[6]HS)	107.5830	0.274	2	107.5830	0.075	2	107.5830	0.075	2	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	S-4:C-2:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CC)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CC)(H)2	H(CCHS)	H(CCHS)	107.8740	0.000	1	107.8740	0.000	1	107.8740	0.000	1	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	S-4:N-2:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(NC)(H)2	H(CHNS)	H(CHNS)	C(SC[6a]OO)(NC)(H)2	H(CHNS)	H(CHNS)	108.0501	0.377	8	108.0501	0.142	8	108.0738	0.130	9	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	S-4:N-2:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(NC[4])(H)2	H(CHNS)	H(CHNS)	C(SC[6a]OO)(NC[4])(H)2	H(CHNS)	H(CHNS)	108.2630	0.000	1	108.2630	0.000	1	108.0738	0.130	9	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	S-4:O-2:H-1:H-1:	C-4:	C-4:	C(SCOO)(OH)(H)2	H(CHOS)	H(CHOS)	C(SCOO)(OH)(H)2	H(CHOS)	H(CHOS)	109.4690	0.000	1	109.4690	0.000	1	109.4690	0.000	1	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	Si-4:C-2:H-1:H-1:	C-4:	C-4:	C(SiC[6a]3)(CC)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[6a]3)(CC)(H)2	H(CSiCH)	H(CSiCH)	100.9240	0.000	1	100.9240	0.000	1	107.2993	8.019	10	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	Si-4:C-2:H-1:H-1:	C-4:	C-4:	C(SiSiCC)(CC)(H)2	H(CSiCH)	H(CSiCH)	C(SiSiCC)(CC)(H)2	H(CSiCH)	H(CSiCH)	108.0077	1.838	9	108.0077	3.376	9	107.2993	8.019	10	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	Si-4:N-2:H-1:H-1:	C-4:	C-4:	C(SiC3)(NN)(H)2	H(CSiHN)	H(CSiHN)	C(SiC3)(NN)(H)2	H(CSiHN)	H(CSiHN)	108.0210	0.000	1	108.0210	0.000	1	108.0210	0.000	1	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	Si-4:O-2:H-1:H-1:	C-4:	C-4:	C(SiC3)(OC)(H)2	H(CSiHO)	H(CSiHO)	C(SiC3)(OC)(H)2	H(CSiHO)	H(CSiHO)	109.4204	3.127	15	109.4204	9.778	15	109.1303	7.946	19	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	Si-4:O-2:H-1:H-1:	C-4:	C-4:	C(SiC3)(OH)(H)2	H(CSiHO)	H(CSiHO)	C(SiC3)(OH)(H)2	H(CSiHO)	H(CSiHO)	107.9660	0.202	3	107.9660	0.041	3	109.1303	7.946	19	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	Si-4:O-2:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2C)(OC[6a])(H)2	H(CSiHO)	H(CSiHO)	C(SiC[6a]2C)(OC[6a])(H)2	H(CSiHO)	H(CSiHO)	108.2720	0.000	1	108.2720	0.000	1	109.1303	7.946	19	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	Si-4:S-2:H-1:H-1:	C-4:	C-4:	C(SiC3)(SC)(H)2	H(CSiHS)	H(CSiHS)	C(SiC3)(SC)(H)2	H(CSiHS)	H(CSiHS)	106.0348	1.070	4	106.0348	1.144	4	107.6015	2.700	10	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	Si-4:S-2:H-1:H-1:	C-4:	C-4:	C(SiC3)(STh)(H)2	H(CSiHS)	H(CSiHS)	C(SiC3)(STh)(H)2	H(CSiHS)	H(CSiHS)	107.8660	0.000	1	107.8660	0.000	1	107.6015	2.700	10	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	Si-4:S-2:H-1:H-1:	C-4:	C-4:	C(SiC3)(SW)(H)2	H(CSiHS)	H(CSiHS)	C(SiC3)(SW)(H)2	H(CSiHS)	H(CSiHS)	109.1120	0.000	2	109.1120	0.000	2	107.6015	2.700	10	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	Si-4:S-2:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2H)(SC[6a])(H)2	H(CSiHS)	H(CSiHS)	C(SiC[6a]2H)(SC[6a])(H)2	H(CSiHS)	H(CSiHS)	108.3240	0.000	1	108.3240	0.000	1	107.6015	2.700	10	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	Si-4:S-2:H-1:H-1:	C-4:	C-4:	C(SiSiCC)(SC)(H)2	H(CSiHS)	H(CSiHS)	C(SiSiCC)(SC)(H)2	H(CSiHS)	H(CSiHS)	108.7310	1.827	2	108.7310	3.339	2	107.6015	2.700	10	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	Si-4:Se-2:H-1:H-1:	C-4:	C-4:	C(SiC3)(SeC)(H)2	H(CSeSiH)	H(CSeSiH)	C(SiC3)(SeC)(H)2	H(CSeSiH)	H(CSeSiH)	106.3017	2.126	4	106.3017	4.519	4	107.8263	10.305	6	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:2:1:1:	4:	4:	Si-4:Se-2:H-1:H-1:	C-4:	C-4:	C(SiSiCC)(SeC)(H)2	H(CSeSiH)	H(CSeSiH)	C(SiSiCC)(SeC)(H)2	H(CSeSiH)	H(CSeSiH)	110.8755	3.174	2	110.8755	10.076	2	107.8263	10.305	6	108.2728	1.820	24753	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	As-4:C-3:H-1:H-1:	C-4:	C-4:	C(AsPdCC)(CCC)(H)2	H(CAsCH)	H(CAsCH)	C(AsPdCC)(CCC)(H)2	H(CAsCH)	H(CAsCH)	107.4884	0.262	9	107.4884	0.068	9	107.5239	0.061	12	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	As-4:C-3:H-1:H-1:	C-4:	C-4:	C(AsPtCC)(CCC)(H)2	H(CAsCH)	H(CAsCH)	C(AsPtCC)(CCC)(H)2	H(CAsCH)	H(CAsCH)	107.6303	0.192	3	107.6303	0.037	3	107.5239	0.061	12	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B-4:C-3:H-1:H-1:	C-4:	C-4:	C(BC[5]HH)(CC[6a]O)(H)2	H(CBCH)	H(CBCH)	C(BC[5]HH)(CC[6a]O)(H)2	H(CBCH)	H(CBCH)	112.7610	0.000	1	112.7610	0.000	1	107.3586	3.318	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B-4:C-3:H-1:H-1:	C-4:	C-4:	C(BC[6a]3)(CCC)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]3)(CCC)(H)2	H(CBCH)	H(CBCH)	107.2185	0.012	2	107.2185	0.000	2	107.3586	3.318	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B-4:C-3:H-1:H-1:	C-4:	C-4:	C(BC[6a]3)(CCH)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]3)(CCH)(H)2	H(CBCH)	H(CBCH)	107.8250	0.000	1	107.8250	0.000	1	107.3586	3.318	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B-4:C-3:H-1:H-1:	C-4:	C-4:	C(BC[6a]3)(CCN)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]3)(CCN)(H)2	H(CBCH)	H(CBCH)	107.4865	1.201	2	107.4865	1.443	2	107.3586	3.318	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B-4:C-3:H-1:H-1:	C-4:	C-4:	C(BC[6a]3)(CC[6a]N)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]3)(CC[6a]N)(H)2	H(CBCH)	H(CBCH)	107.3950	0.000	1	107.3950	0.000	1	107.3586	3.318	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B-4:C-3:H-1:H-1:	C-4:	C-4:	C(BC[6a]3)(CTiC)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]3)(CTiC)(H)2	H(CBCH)	H(CBCH)	105.2200	0.000	1	105.2200	0.000	1	107.3586	3.318	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B-4:C-3:H-1:H-1:	C-4:	C-4:	C(BC[6a]3)(CZrC)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]3)(CZrC)(H)2	H(CBCH)	H(CBCH)	105.0660	3.048	2	105.0660	9.288	2	107.3586	3.318	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B-4:C-3:H-1:H-1:	C-4:	C-4:	C(BN[5]2C)(CCH)(H)2	H(CBCH)	H(CBCH)	C(BN[5]2C)(CCH)(H)2	H(CBCH)	H(CBCH)	107.1887	0.161	3	107.1887	0.026	3	107.3586	3.318	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B-4:C-3:H-1:H-1:	C-4:	C-4:	C(BN[5]CC)(CCH)(H)2	H(CBCH)	H(CBCH)	C(BN[5]CC)(CCH)(H)2	H(CBCH)	H(CBCH)	107.6290	0.388	5	107.6290	0.150	5	107.3586	3.318	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(BC[6a]2N[6])(C[6]C[6]2)(H)2	H(CC[6]BH)	H(CC[6]BH)	C(BC[6a]2N[6])(C[6]C[6]2)(H)2	H(CC[6]BH)	H(CC[6]BH)	107.2100	0.000	1	107.2100	0.000	1	107.2100	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B-4:N-3:H-1:H-1:	C-4:	C-4:	C(BC[6a]2C)(NCC)(H)2	H(CBHN)	H(CBHN)	C(BC[6a]2C)(NCC)(H)2	H(CBHN)	H(CBHN)	107.3170	0.000	1	107.3170	0.000	1	107.3170	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B-4:P-3:H-1:H-1:	C-4:	C-4:	C(BC[6a]2C)(PCC)(H)2	H(CBHP)	H(CBHP)	C(BC[6a]2C)(PCC)(H)2	H(CBHP)	H(CBHP)	105.9437	0.123	3	105.9437	0.015	3	106.8802	0.195	21	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B-4:P-3:H-1:H-1:	C-4:	C-4:	C(BC[6a]2C)(PC[6a]2)(H)2	H(CBHP)	H(CBHP)	C(BC[6a]2C)(PC[6a]2)(H)2	H(CBHP)	H(CBHP)	107.1148	0.254	4	107.1148	0.064	4	106.8802	0.195	21	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B-4:P-3:H-1:H-1:	C-4:	C-4:	C(BC[6a]CC)(PCC)(H)2	H(CBHP)	H(CBHP)	C(BC[6a]CC)(PCC)(H)2	H(CBHP)	H(CBHP)	106.9950	0.204	6	106.9950	0.042	6	106.8802	0.195	21	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B-4:P-3:H-1:H-1:	C-4:	C-4:	C(BC[6a]CC)(PC[6a]2)(H)2	H(CBHP)	H(CBHP)	C(BC[6a]CC)(PC[6a]2)(H)2	H(CBHP)	H(CBHP)	107.0281	0.230	8	107.0281	0.053	8	106.8802	0.195	21	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B-4:S-3:H-1:H-1:	C-4:	C-4:	C(BC[6a]2C)(SC[6a]Cu)(H)2	H(CBHS)	H(CBHS)	C(BC[6a]2C)(SC[6a]Cu)(H)2	H(CBHS)	H(CBHS)	108.0650	0.085	2	108.0650	0.007	2	107.6485	0.039	81	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B-4:S-3:H-1:H-1:	C-4:	C-4:	C(BC[6a]2C)(SC[6a]Rh)(H)2	H(CBHS)	H(CBHS)	C(BC[6a]2C)(SC[6a]Rh)(H)2	H(CBHS)	H(CBHS)	107.8875	0.467	2	107.8875	0.218	2	107.6485	0.039	81	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B-4:S-3:H-1:H-1:	C-4:	C-4:	C(BC[6a]2C)(SNiC)(H)2	H(CBHS)	H(CBHS)	C(BC[6a]2C)(SNiC)(H)2	H(CBHS)	H(CBHS)	107.4600	0.109	4	107.4600	0.012	4	107.6485	0.039	81	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B-4:S-3:H-1:H-1:	C-4:	C-4:	C(BC[6a]CC)(SC[6a]Cu)(H)2	H(CBHS)	H(CBHS)	C(BC[6a]CC)(SC[6a]Cu)(H)2	H(CBHS)	H(CBHS)	107.6917	0.167	3	107.6917	0.028	3	107.6485	0.039	81	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B-4:S-3:H-1:H-1:	C-4:	C-4:	C(BC[6a]CC)(SCoC)(H)2	H(CBHS)	H(CBHS)	C(BC[6a]CC)(SCoC)(H)2	H(CBHS)	H(CBHS)	107.6513	0.179	38	107.6513	0.032	38	107.6485	0.039	81	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B-4:S-3:H-1:H-1:	C-4:	C-4:	C(BC[6a]CC)(SFeC)(H)2	H(CBHS)	H(CBHS)	C(BC[6a]CC)(SFeC)(H)2	H(CBHS)	H(CBHS)	107.6120	0.189	23	107.6120	0.036	23	107.6485	0.039	81	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B-4:S-3:H-1:H-1:	C-4:	C-4:	C(BC[6a]CC)(SMnC)(H)2	H(CBHS)	H(CBHS)	C(BC[6a]CC)(SMnC)(H)2	H(CBHS)	H(CBHS)	107.5957	0.123	6	107.5957	0.015	6	107.6485	0.039	81	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B-4:S-3:H-1:H-1:	C-4:	C-4:	C(BC[6a]CC)(SNiC)(H)2	H(CBHS)	H(CBHS)	C(BC[6a]CC)(SNiC)(H)2	H(CBHS)	H(CBHS)	107.7697	0.121	3	107.7697	0.015	3	107.6485	0.039	81	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B[5,5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(B[5,5]N[5,5]O[5]2)(CCH)(H)2	H(CB[5,5]CH)	H(CB[5,5]CH)	C(B[5,5]N[5,5]O[5]2)(CCH)(H)2	H(CB[5,5]CH)	H(CB[5,5]CH)	107.9570	0.000	1	107.9570	0.000	1	107.9570	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B[5,5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(B[5,5]N[5,5]O[5]2)(NCO)(H)2	H(CB[5,5]HN)	H(CB[5,5]HN)	C(B[5,5]N[5,5]O[5]2)(NCO)(H)2	H(CB[5,5]HN)	H(CB[5,5]HN)	107.6680	0.000	1	107.6680	0.000	1	107.6680	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B[5]-4:C[5]-3:H-1:H-1:	C-4:	C-4:	C(B[5]C[5,6a]2Br)(C[5]N[5]2)(H)2	H(CB[5]C[5]H)	H(CB[5]C[5]H)	C(B[5]C[5,6a]2Br)(C[5]N[5]2)(H)2	H(CB[5]C[5]H)	H(CB[5]C[5]H)	106.6930	0.000	1	106.6930	0.000	1	106.6930	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B[5]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(B[5]C[5,6a]2N[6])(C[6]C[6]N[6])(H)2	H(CB[5]C[6]H)	H(CB[5]C[6]H)	C(B[5]C[5,6a]2N[6])(C[6]C[6]N[6])(H)2	H(CB[5]C[6]H)	H(CB[5]C[6]H)	107.4200	0.000	1	107.4200	0.000	1	107.4915	0.010	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B[5]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(B[5]C[5,6a]C[5,6]N[6])(C[6]C[6]N[6])(H)2	H(CB[5]C[6]H)	H(CB[5]C[6]H)	C(B[5]C[5,6a]C[5,6]N[6])(C[6]C[6]N[6])(H)2	H(CB[5]C[6]H)	H(CB[5]C[6]H)	107.5630	0.000	1	107.5630	0.000	1	107.4915	0.010	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(B[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(H)2	H(CC[6a]B[5]H)	H(CC[6a]B[5]H)	C(B[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(H)2	H(CC[6a]B[5]H)	H(CC[6a]B[5]H)	107.7000	0.000	1	107.7000	0.000	1	107.7000	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B[6,6]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(B[6,6]C[6,6]2N[6])(C[6]C[6]N[6])(H)2	H(CB[6,6]C[6]H)	H(CB[6,6]C[6]H)	C(B[6,6]C[6,6]2N[6])(C[6]C[6]N[6])(H)2	H(CB[6,6]C[6]H)	H(CB[6,6]C[6]H)	108.0755	0.103	2	108.0755	0.011	2	107.8593	0.155	4	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B[6,6]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(B[6,6]C[6,6]2O)(C[6]C[6]N[6])(H)2	H(CB[6,6]C[6]H)	H(CB[6,6]C[6]H)	C(B[6,6]C[6,6]2O)(C[6]C[6]N[6])(H)2	H(CB[6,6]C[6]H)	H(CB[6,6]C[6]H)	107.2780	0.000	1	107.2780	0.000	1	107.8593	0.155	4	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B[6,6]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(B[6,6]C[6,6]2Ru)(C[6]C[6]N[6])(H)2	H(CB[6,6]C[6]H)	H(CB[6,6]C[6]H)	C(B[6,6]C[6,6]2Ru)(C[6]C[6]N[6])(H)2	H(CB[6,6]C[6]H)	H(CB[6,6]C[6]H)	108.0080	0.000	1	108.0080	0.000	1	107.8593	0.155	4	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B[6,6]-4:S-3:H-1:H-1:	C-4:	C-4:	C(B[6,6]C[6,6]2N)(SCC)(H)2	H(CB[6,6]HS)	H(CB[6,6]HS)	C(B[6,6]C[6,6]2N)(SCC)(H)2	H(CB[6,6]HS)	H(CB[6,6]HS)	107.5220	0.207	3	107.5220	0.043	3	107.6808	0.129	4	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B[6,6]-4:S-3:H-1:H-1:	C-4:	C-4:	C(B[6,6]C[6,6]2O)(SLiC)(H)2	H(CB[6,6]HS)	H(CB[6,6]HS)	C(B[6,6]C[6,6]2O)(SLiC)(H)2	H(CB[6,6]HS)	H(CB[6,6]HS)	108.1570	0.000	1	108.1570	0.000	1	107.6808	0.129	4	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	B[6]-4:P-3:H-1:H-1:	C-4:	C-4:	C(B[6]C[6a]C[6]P[6])(PC[6a]2)(H)2	H(CB[6]HP)	H(CB[6]HP)	C(B[6]C[6a]C[6]P[6])(PC[6a]2)(H)2	H(CB[6]HP)	H(CB[6]HP)	107.7550	0.242	3	107.7550	0.059	3	107.7550	0.059	3	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:B-3:H-1:H-1:	C-4:	C-4:	C(CBHH)(BCN)(H)2	H(CBCH)	H(CBCH)	C(CBHH)(BCN)(H)2	H(CBCH)	H(CBCH)	108.4220	0.424	2	108.4220	0.180	2	107.5898	0.344	9	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:B-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(BC[6a]2)(H)2	H(CBCH)	H(CBCH)	C(CC[5]HH)(BC[6a]2)(H)2	H(CBCH)	H(CBCH)	107.2570	0.000	1	107.2570	0.000	1	107.5898	0.344	9	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:B-3:H-1:H-1:	C-4:	C-4:	C(CH3)(BCC)(H)2	H(CBCH)	H(CBCH)	C(CH3)(BCC)(H)2	H(CBCH)	H(CBCH)	107.3544	0.439	5	107.3544	0.193	5	107.5898	0.344	9	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:B-3:H-1:H-1:	C-4:	C-4:	C(CH3)(BCW)(H)2	H(CBCH)	H(CBCH)	C(CH3)(BCW)(H)2	H(CBCH)	H(CBCH)	107.4350	0.000	1	107.4350	0.000	1	107.5898	0.344	9	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:B[6a]-3:H-1:H-1:	C-4:	C-4:	C(CB[6a]B[5]H)(B[6a]N[6a]2)(H)2	H(CB[6a]CH)	H(CB[6a]CH)	C(CB[6a]B[5]H)(B[6a]N[6a]2)(H)2	H(CB[6a]CH)	H(CB[6a]CH)	107.2520	0.242	2	107.2520	0.058	2	107.2520	0.058	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CBCH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CBCH)(COO)(H)2	H(CCCH)	H(CCCH)	107.7365	0.125	2	107.7365	0.016	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CB[3]RuH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CB[3]RuH)(COO)(H)2	H(CCCH)	H(CCCH)	110.9100	0.000	1	110.9100	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CB[5,5]HH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CB[5,5]HH)(COO)(H)2	H(CCCH)	H(CCCH)	107.7050	0.000	1	107.7050	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CB[5]CH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CB[5]CH)(CCH)(H)2	H(CCCH)	H(CCCH)	99.3358	0.000	1	99.3358	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CB[5]CH)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CB[5]CH)(CNO)(H)2	H(CCCH)	H(CCCH)	107.9855	0.190	4	107.9855	0.036	4	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CB[5]HH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CB[5]HH)(COO)(H)2	H(CCCH)	H(CCCH)	106.7460	0.000	1	106.7460	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CB[6a]B[5]H)(COO)(H)2	H(CCCH)	H(CCCH)	C(CB[6a]B[5]H)(COO)(H)2	H(CCCH)	H(CCCH)	107.8407	0.122	3	107.8407	0.015	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CBrCH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CBrCH)(CCH)(H)2	H(CCCH)	H(CCCH)	107.5800	0.139	4	107.5800	0.019	4	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CBrCH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CBrCH)(COO)(H)2	H(CCCH)	H(CCCH)	107.8115	0.059	4	107.8115	0.004	4	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CBrHH)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CBrHH)(CNO)(H)2	H(CCCH)	H(CCCH)	107.8810	0.000	1	107.8810	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC3)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC3)(CCC)(H)2	H(CCCH)	H(CCCH)	107.4723	0.887	13	107.4723	0.787	13	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC3)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC3)(CCH)(H)2	H(CCCH)	H(CCCH)	107.6437	0.720	48	107.6437	0.519	48	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC3)(CCN)(H)2	H(CCCH)	H(CCCH)	C(CC3)(CCN)(H)2	H(CCCH)	H(CCCH)	107.2420	0.000	1	107.2420	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC3)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC3)(CCO)(H)2	H(CCCH)	H(CCCH)	107.4220	0.480	7	107.4220	0.230	7	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC3)(CHH)(H)2	H(CCCH)	H(CCCH)	C(CC3)(CHH)(H)2	H(CCCH)	H(CCCH)	80.0845	0.000	2	80.0845	0.000	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC3)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC3)(CNO)(H)2	H(CCCH)	H(CCCH)	108.8169	2.094	7	108.8169	4.383	7	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC3)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC3)(COO)(H)2	H(CCCH)	H(CCCH)	107.6209	0.186	24	107.6209	0.035	24	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC3)(COW)(H)2	H(CCCH)	H(CCCH)	C(CC3)(COW)(H)2	H(CCCH)	H(CCCH)	107.0020	0.000	1	107.0020	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCCH)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CCC)(H)2	H(CCCH)	H(CCCH)	107.4233	1.118	20	107.4233	1.250	20	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCCH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CCH)(H)2	H(CCCH)	H(CCCH)	107.8243	0.608	41	107.8243	0.369	41	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCCH)(CCN)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CCN)(H)2	H(CCCH)	H(CCCH)	108.8847	1.090	3	108.8847	1.189	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCCH)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CCO)(H)2	H(CCCH)	H(CCCH)	107.3159	1.625	29	107.3159	2.640	29	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCCH)(CClC)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CClC)(H)2	H(CCCH)	H(CCCH)	107.5510	0.000	1	107.5510	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCCH)(CHN)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CHN)(H)2	H(CCCH)	H(CCCH)	109.4130	0.000	1	109.4130	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCCH)(CHO)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CHO)(H)2	H(CCCH)	H(CCCH)	107.3205	0.264	2	107.3205	0.070	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCCH)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CNO)(H)2	H(CCCH)	H(CCCH)	107.7209	0.713	24	107.7209	0.509	24	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCCH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(COO)(H)2	H(CCCH)	H(CCCH)	107.8655	1.095	80	107.8655	1.199	80	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CCCN)(CCC)(H)2	H(CCCH)	H(CCCH)	108.0490	0.000	1	108.0490	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CCCN)(CCH)(H)2	H(CCCH)	H(CCCH)	107.7264	0.175	11	107.7264	0.031	11	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(CCN)(H)2	H(CCCH)	H(CCCH)	C(CCCN)(CCN)(H)2	H(CCCH)	H(CCCH)	107.0116	0.323	68	107.0116	0.104	68	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CCCN)(CCO)(H)2	H(CCCH)	H(CCCH)	106.7521	1.530	9	106.7521	2.340	9	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CCCN)(CNO)(H)2	H(CCCH)	H(CCCH)	107.7583	0.111	3	107.7583	0.012	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(COO)(H)2	H(CCCH)	H(CCCH)	C(CCCN)(COO)(H)2	H(CCCH)	H(CCCH)	107.4843	0.125	3	107.4843	0.016	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCCO)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CCCO)(CCC)(H)2	H(CCCH)	H(CCCH)	107.7600	0.000	1	107.7600	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCCO)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CCCO)(CCH)(H)2	H(CCCH)	H(CCCH)	107.4952	0.241	9	107.4952	0.058	9	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCCO)(CCN)(H)2	H(CCCH)	H(CCCH)	C(CCCO)(CCN)(H)2	H(CCCH)	H(CCCH)	107.5795	0.487	20	107.5795	0.237	20	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCCO)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CCCO)(CCO)(H)2	H(CCCH)	H(CCCH)	107.6059	0.235	10	107.6059	0.055	10	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCCO)(CNiC)(H)2	H(CCCH)	H(CCCH)	C(CCCO)(CNiC)(H)2	H(CCCH)	H(CCCH)	109.4440	0.000	1	109.4440	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCCO)(COO)(H)2	H(CCCH)	H(CCCH)	C(CCCO)(COO)(H)2	H(CCCH)	H(CCCH)	107.5000	1.460	106	107.5000	2.133	106	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCCS)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CCCS)(CNO)(H)2	H(CCCH)	H(CCCH)	109.4240	0.000	1	109.4240	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCFF)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CCFF)(CCC)(H)2	H(CCCH)	H(CCCH)	107.7350	0.000	1	107.7350	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCFF)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CCFF)(CCH)(H)2	H(CCCH)	H(CCCH)	107.7420	0.000	1	107.7420	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCFF)(COO)(H)2	H(CCCH)	H(CCCH)	C(CCFF)(COO)(H)2	H(CCCH)	H(CCCH)	107.5165	0.046	2	107.5165	0.002	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CAuC)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CAuC)(H)2	H(CCCH)	H(CCCH)	108.4160	0.000	1	108.4160	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CBC)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CBC)(H)2	H(CCCH)	H(CCCH)	107.2980	0.359	3	107.2980	0.129	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CBrC)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CBrC)(H)2	H(CCCH)	H(CCCH)	108.0490	0.000	1	108.0490	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CCC)(H)2	H(CCCH)	H(CCCH)	107.6701	0.861	170	107.6701	0.741	170	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CCF)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CCF)(H)2	H(CCCH)	H(CCCH)	107.9340	0.385	2	107.9340	0.148	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CCH)(H)2	H(CCCH)	H(CCCH)	107.6822	1.716	415	107.6822	2.946	415	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CCI)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CCI)(H)2	H(CCCH)	H(CCCH)	109.4460	0.000	1	109.4460	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CCN)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CCN)(H)2	H(CCCH)	H(CCCH)	107.7467	0.905	49	107.7467	0.819	49	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CCO)(H)2	H(CCCH)	H(CCCH)	107.7451	0.796	179	107.7451	0.634	179	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CCP)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CCP)(H)2	H(CCCH)	H(CCCH)	107.4718	0.214	5	107.4718	0.046	5	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CCS)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CCS)(H)2	H(CCCH)	H(CCCH)	107.9980	0.596	7	107.9980	0.355	7	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CClC)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CClC)(H)2	H(CCCH)	H(CCCH)	105.7250	0.000	1	105.7250	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CCoC)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CCoC)(H)2	H(CCCH)	H(CCCH)	107.2320	0.000	1	107.2320	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CCuC)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CCuC)(H)2	H(CCCH)	H(CCCH)	108.3102	0.159	17	108.3102	0.025	17	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CFeO)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CFeO)(H)2	H(CCCH)	H(CCCH)	106.8890	0.000	1	106.8890	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CHH)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CHH)(H)2	H(CCCH)	H(CCCH)	107.9661	4.634	79	107.9661	21.477	79	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CHN)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CHN)(H)2	H(CCCH)	H(CCCH)	107.3419	1.670	27	107.3419	2.789	27	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CHO)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CHO)(H)2	H(CCCH)	H(CCCH)	107.8120	0.314	3	107.8120	0.098	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CHP)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CHP)(H)2	H(CCCH)	H(CCCH)	108.0950	0.345	2	108.0950	0.119	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CHS)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CHS)(H)2	H(CCCH)	H(CCCH)	108.6020	0.000	1	108.6020	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CIrC)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CIrC)(H)2	H(CCCH)	H(CCCH)	108.1499	0.843	27	108.1499	0.710	27	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CMgC)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CMgC)(H)2	H(CCCH)	H(CCCH)	107.7120	0.000	1	107.7120	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CMoH)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CMoH)(H)2	H(CCCH)	H(CCCH)	108.7900	0.000	2	108.7900	0.000	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CNN)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CNN)(H)2	H(CCCH)	H(CCCH)	107.8560	0.341	26	107.8560	0.116	26	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CNO)(H)2	H(CCCH)	H(CCCH)	107.8270	1.250	471	107.8270	1.562	471	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CNS)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CNS)(H)2	H(CCCH)	H(CCCH)	107.0932	1.044	5	107.0932	1.090	5	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CNiO)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CNiO)(H)2	H(CCCH)	H(CCCH)	109.5230	0.000	1	109.5230	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(COO)(H)2	H(CCCH)	H(CCCH)	107.5411	1.386	1350	107.5411	1.921	1350	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(COS)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(COS)(H)2	H(CCCH)	H(CCCH)	109.4963	1.033	15	109.4963	1.067	15	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(COsC)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(COsC)(H)2	H(CCCH)	H(CCCH)	107.5180	0.000	1	107.5180	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CPtO)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CPtO)(H)2	H(CCCH)	H(CCCH)	107.4150	0.000	1	107.4150	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CReC)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CReC)(H)2	H(CCCH)	H(CCCH)	107.8439	0.106	8	107.8439	0.011	8	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CReO)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CReO)(H)2	H(CCCH)	H(CCCH)	107.5740	0.000	1	107.5740	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CRhC)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CRhC)(H)2	H(CCCH)	H(CCCH)	106.0205	4.867	8	106.0205	23.692	8	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CRuC)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CRuC)(H)2	H(CCCH)	H(CCCH)	107.5230	0.000	1	107.5230	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CRuH)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CRuH)(H)2	H(CCCH)	H(CCCH)	107.9850	0.000	1	107.9850	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CRuO)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CRuO)(H)2	H(CCCH)	H(CCCH)	108.2310	0.000	1	108.2310	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CSS)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CSS)(H)2	H(CCCH)	H(CCCH)	107.3570	0.119	2	107.3570	0.014	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(CSeC)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CSeC)(H)2	H(CCCH)	H(CCCH)	107.5147	0.149	3	107.5147	0.022	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CCHN)(CCC)(H)2	H(CCCH)	H(CCCH)	107.2116	1.833	10	107.2116	3.358	10	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CCHN)(CCH)(H)2	H(CCCH)	H(CCCH)	107.6719	0.189	11	107.6719	0.036	11	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(CCN)(H)2	H(CCCH)	H(CCCH)	C(CCHN)(CCN)(H)2	H(CCCH)	H(CCCH)	107.1640	0.000	1	107.1640	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CCHN)(CCO)(H)2	H(CCCH)	H(CCCH)	107.8560	0.319	5	107.8560	0.102	5	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(CCP)(H)2	H(CCCH)	H(CCCH)	C(CCHN)(CCP)(H)2	H(CCCH)	H(CCCH)	107.9420	0.000	1	107.9420	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(CHH)(H)2	H(CCCH)	H(CCCH)	C(CCHN)(CHH)(H)2	H(CCCH)	H(CCCH)	108.0060	0.400	2	108.0060	0.160	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(CHO)(H)2	H(CCCH)	H(CCCH)	C(CCHN)(CHO)(H)2	H(CCCH)	H(CCCH)	107.9373	0.088	3	107.9373	0.008	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CCHN)(CNO)(H)2	H(CCCH)	H(CCCH)	108.0388	0.549	42	108.0388	0.302	42	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(COO)(H)2	H(CCCH)	H(CCCH)	C(CCHN)(COO)(H)2	H(CCCH)	H(CCCH)	107.9760	1.630	78	107.9760	2.657	78	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHO)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CCHO)(CCC)(H)2	H(CCCH)	H(CCCH)	106.9881	1.809	9	106.9881	3.273	9	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHO)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CCHO)(CCH)(H)2	H(CCCH)	H(CCCH)	107.8676	0.590	55	107.8676	0.348	55	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHO)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CCHO)(CCO)(H)2	H(CCCH)	H(CCCH)	107.8575	1.026	25	107.8575	1.052	25	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHO)(CHN)(H)2	H(CCCH)	H(CCCH)	C(CCHO)(CHN)(H)2	H(CCCH)	H(CCCH)	108.0330	0.000	1	108.0330	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHO)(CIrO)(H)2	H(CCCH)	H(CCCH)	C(CCHO)(CIrO)(H)2	H(CCCH)	H(CCCH)	108.3510	0.000	1	108.3510	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHO)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CCHO)(CNO)(H)2	H(CCCH)	H(CCCH)	107.9142	0.262	12	107.9142	0.068	12	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHO)(COO)(H)2	H(CCCH)	H(CCCH)	C(CCHO)(COO)(H)2	H(CCCH)	H(CCCH)	107.8215	0.454	74	107.8215	0.206	74	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHP)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CCHP)(CCO)(H)2	H(CCCH)	H(CCCH)	107.6157	0.091	3	107.6157	0.008	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHP)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CCHP)(CNO)(H)2	H(CCCH)	H(CCCH)	107.8360	0.113	2	107.8360	0.013	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHP)(COO)(H)2	H(CCCH)	H(CCCH)	C(CCHP)(COO)(H)2	H(CCCH)	H(CCCH)	107.8528	0.180	4	107.8528	0.033	4	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHS)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CCHS)(CCC)(H)2	H(CCCH)	H(CCCH)	107.7270	0.000	1	107.7270	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHS)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CCHS)(CCH)(H)2	H(CCCH)	H(CCCH)	107.5555	0.101	2	107.5555	0.010	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHS)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CCHS)(CCO)(H)2	H(CCCH)	H(CCCH)	107.8767	0.187	3	107.8767	0.035	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHS)(CHH)(H)2	H(CCCH)	H(CCCH)	C(CCHS)(CHH)(H)2	H(CCCH)	H(CCCH)	107.5570	0.000	1	107.5570	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHS)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CCHS)(CNO)(H)2	H(CCCH)	H(CCCH)	107.8650	0.000	1	107.8650	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHS)(COO)(H)2	H(CCCH)	H(CCCH)	C(CCHS)(COO)(H)2	H(CCCH)	H(CCCH)	107.9367	0.247	3	107.9367	0.061	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCHW)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CCHW)(CCO)(H)2	H(CCCH)	H(CCCH)	105.9050	0.000	1	105.9050	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCOO)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CCOO)(CCO)(H)2	H(CCCH)	H(CCCH)	109.4830	0.000	1	109.4830	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[3,5]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[3,5]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	107.8687	0.097	3	107.8687	0.009	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[3,6]HH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[3,6]HH)(COO)(H)2	H(CCCH)	H(CCCH)	107.6895	0.008	2	107.6895	0.000	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[3]CC)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[3]CC)(CCH)(H)2	H(CCCH)	H(CCCH)	107.6707	0.105	3	107.6707	0.011	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[3]CH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[3]CH)(COO)(H)2	H(CCCH)	H(CCCH)	107.4545	0.023	2	107.4545	0.001	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[3]HH)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HH)(CCC)(H)2	H(CCCH)	H(CCCH)	107.6252	0.236	12	107.6252	0.056	12	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[3]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	108.0103	0.320	38	108.0103	0.103	38	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[3]HH)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HH)(CCO)(H)2	H(CCCH)	H(CCCH)	107.5830	0.199	2	107.5830	0.040	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[3]HH)(CC[4]C)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HH)(CC[4]C)(H)2	H(CCCH)	H(CCCH)	107.6655	0.103	2	107.6655	0.011	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[3]HH)(CC[5]O)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HH)(CC[5]O)(H)2	H(CCCH)	H(CCCH)	108.0760	0.000	1	108.0760	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[3]HH)(CC[6]C)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HH)(CC[6]C)(H)2	H(CCCH)	H(CCCH)	107.9110	0.000	1	107.9110	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[3]HH)(CC[6a]C)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HH)(CC[6a]C)(H)2	H(CCCH)	H(CCCH)	107.8180	0.000	1	107.8180	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[3]HH)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HH)(CNO)(H)2	H(CCCH)	H(CCCH)	107.7070	0.000	1	107.7070	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[3]HH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HH)(COO)(H)2	H(CCCH)	H(CCCH)	107.7889	0.070	7	107.7889	0.005	7	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[3]HN)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HN)(CCH)(H)2	H(CCCH)	H(CCCH)	109.2450	0.000	1	109.2450	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[3]HO)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HO)(CCO)(H)2	H(CCCH)	H(CCCH)	107.3800	0.000	1	107.3800	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[3]HO)(CC[6]C)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HO)(CC[6]C)(H)2	H(CCCH)	H(CCCH)	107.5450	0.000	1	107.5450	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[3]HO)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HO)(COO)(H)2	H(CCCH)	H(CCCH)	108.1240	0.000	1	108.1240	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[3x6]CH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[3x6]CH)(COO)(H)2	H(CCCH)	H(CCCH)	107.8760	0.000	1	107.8760	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[3x6]HH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[3x6]HH)(COO)(H)2	H(CCCH)	H(CCCH)	107.9530	0.000	1	107.9530	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[3x6]HN)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[3x6]HN)(CCH)(H)2	H(CCCH)	H(CCCH)	107.8560	0.000	1	107.8560	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[4,5,5,6]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[4,5,5,6]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	108.4120	0.000	1	108.4120	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[4,5,5]HH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[4,5,5]HH)(COO)(H)2	H(CCCH)	H(CCCH)	107.7310	0.000	1	107.7310	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[4]HH)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[4]HH)(CCC)(H)2	H(CCCH)	H(CCCH)	107.7495	0.022	2	107.7495	0.000	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[4]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[4]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	107.7420	0.000	1	107.7420	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[4]HH)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[4]HH)(CCO)(H)2	H(CCCH)	H(CCCH)	107.3480	0.106	4	107.3480	0.011	4	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[4]HO)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[4]HO)(CCO)(H)2	H(CCCH)	H(CCCH)	109.2020	0.000	1	109.2020	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5,5,6]CH)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[5,5,6]CH)(CCO)(H)2	H(CCCH)	H(CCCH)	106.9563	0.336	6	106.9563	0.113	6	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5,5]CH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5,5]CH)(CCH)(H)2	H(CCCH)	H(CCCH)	107.4620	0.000	1	107.4620	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5,5]CH)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[5,5]CH)(CCO)(H)2	H(CCCH)	H(CCCH)	108.4000	0.157	2	108.4000	0.025	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5,6,6]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5,6,6]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	107.9770	0.016	2	107.9770	0.000	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5,6]CH)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[5,6]CH)(CCO)(H)2	H(CCCH)	H(CCCH)	107.8990	0.000	1	107.8990	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5,6]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5,6]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	108.0606	0.749	5	108.0606	0.562	5	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5,6]HH)(CC[4]C)(H)2	H(CCCH)	H(CCCH)	C(CC[5,6]HH)(CC[4]C)(H)2	H(CCCH)	H(CCCH)	107.5346	0.138	5	107.5346	0.019	5	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5,6]HH)(CC[5]C)(H)2	H(CCCH)	H(CCCH)	C(CC[5,6]HH)(CC[5]C)(H)2	H(CCCH)	H(CCCH)	107.3300	0.000	1	107.3300	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5,6]HH)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5,6]HH)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.7415	0.009	2	107.7415	0.000	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5,6]HO)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5,6]HO)(CCH)(H)2	H(CCCH)	H(CCCH)	107.5520	0.000	1	107.5520	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]2H)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]2H)(CCO)(H)2	H(CCCH)	H(CCCH)	107.4960	0.000	1	107.4960	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]2H)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]2H)(CNO)(H)2	H(CCCH)	H(CCCH)	107.2360	0.000	1	107.2360	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]2H)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]2H)(COO)(H)2	H(CCCH)	H(CCCH)	107.6515	0.254	2	107.6515	0.064	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]BrH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]BrH)(CCH)(H)2	H(CCCH)	H(CCCH)	107.8553	0.062	3	107.8553	0.004	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]CC)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CC)(CCH)(H)2	H(CCCH)	H(CCCH)	105.6066	2.714	5	105.6066	7.367	5	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]CC)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CC)(CCO)(H)2	H(CCCH)	H(CCCH)	107.5565	0.124	2	107.5565	0.015	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]CC)(CC[6a]N)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CC)(CC[6a]N)(H)2	H(CCCH)	H(CCCH)	107.5850	0.035	2	107.5850	0.001	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]CC)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CC)(CNO)(H)2	H(CCCH)	H(CCCH)	108.1595	0.093	2	108.1595	0.009	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CH)(CCC)(H)2	H(CCCH)	H(CCCH)	108.9003	0.921	3	108.9003	0.848	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CH)(CCH)(H)2	H(CCCH)	H(CCCH)	107.7318	0.858	8	107.7318	0.737	8	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CH)(CCO)(H)2	H(CCCH)	H(CCCH)	107.1280	1.614	9	107.1280	2.606	9	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(CC[3]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CH)(CC[3]O)(H)2	H(CCCH)	H(CCCH)	107.4880	0.000	1	107.4880	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(CC[5]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CH)(CC[5]O)(H)2	H(CCCH)	H(CCCH)	108.4500	0.444	2	108.4500	0.197	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CH)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	107.8067	0.126	3	107.8067	0.016	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CH)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.3787	1.694	12	107.3787	2.869	12	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CH)(CNO)(H)2	H(CCCH)	H(CCCH)	107.7927	0.244	6	107.7927	0.060	6	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CH)(COO)(H)2	H(CCCH)	H(CCCH)	108.9543	1.820	7	108.9543	3.313	7	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]CO)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CO)(CCO)(H)2	H(CCCH)	H(CCCH)	107.8710	0.000	1	107.8710	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]C[6]H)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]C[6]H)(CCO)(H)2	H(CCCH)	H(CCCH)	107.5867	0.129	3	107.5867	0.017	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CBrC)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CBrC)(H)2	H(CCCH)	H(CCCH)	107.8400	0.000	1	107.8400	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CCC)(H)2	H(CCCH)	H(CCCH)	107.8642	1.130	26	107.8642	1.277	26	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	107.7244	1.464	21	107.7244	2.142	21	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CCO)(H)2	H(CCCH)	H(CCCH)	107.6740	1.019	36	107.6740	1.039	36	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CC[5]C)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CC[5]C)(H)2	H(CCCH)	H(CCCH)	107.7538	2.184	12	107.7538	4.771	12	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CC[5]H)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CC[5]H)(H)2	H(CCCH)	H(CCCH)	106.5930	0.000	1	106.5930	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CC[5]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CC[5]O)(H)2	H(CCCH)	H(CCCH)	107.9430	0.455	2	107.9430	0.207	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	107.9125	0.028	2	107.9125	0.001	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CC[6]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CC[6]O)(H)2	H(CCCH)	H(CCCH)	107.4060	0.000	1	107.4060	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CC[6a]C)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CC[6a]C)(H)2	H(CCCH)	H(CCCH)	107.2890	0.000	1	107.2890	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	108.4686	0.931	5	108.4686	0.867	5	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CHH)(H)2	H(CCCH)	H(CCCH)	108.5790	1.411	2	108.5790	1.992	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CNO)(H)2	H(CCCH)	H(CCCH)	107.9299	0.202	13	107.9299	0.041	13	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CN[5]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CN[5]O)(H)2	H(CCCH)	H(CCCH)	107.2020	0.000	1	107.2020	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CN[6]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CN[6]O)(H)2	H(CCCH)	H(CCCH)	107.8130	0.216	2	107.8130	0.047	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(COO)(H)2	H(CCCH)	H(CCCH)	107.5392	1.073	31	107.5392	1.152	31	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HN)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HN)(CNO)(H)2	H(CCCH)	H(CCCH)	108.0000	0.000	1	108.0000	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HN)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HN)(COO)(H)2	H(CCCH)	H(CCCH)	108.1732	1.513	8	108.1732	2.289	8	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HO)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HO)(CCC)(H)2	H(CCCH)	H(CCCH)	107.4163	0.299	3	107.4163	0.090	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HO)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HO)(CCH)(H)2	H(CCCH)	H(CCCH)	107.8530	0.221	3	107.8530	0.049	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HO)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HO)(CCO)(H)2	H(CCCH)	H(CCCH)	107.7750	0.112	2	107.7750	0.012	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HO)(CC[5]C)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HO)(CC[5]C)(H)2	H(CCCH)	H(CCCH)	107.1851	1.271	8	107.1851	1.616	8	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HO)(CC[6]C)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HO)(CC[6]C)(H)2	H(CCCH)	H(CCCH)	107.4150	0.000	1	107.4150	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HO)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HO)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.7115	0.050	2	107.7115	0.003	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HO)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HO)(COO)(H)2	H(CCCH)	H(CCCH)	110.1416	2.067	5	110.1416	4.274	5	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HP)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HP)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.8070	0.000	1	107.8070	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HS)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HS)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.5550	0.187	2	107.5550	0.035	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]RuH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]RuH)(COO)(H)2	H(CCCH)	H(CCCH)	108.0350	0.000	1	108.0350	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5]SiH)(CC[5]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5]SiH)(CC[5]O)(H)2	H(CCCH)	H(CCCH)	109.5100	0.000	1	109.5100	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]2C)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]2C)(COO)(H)2	H(CCCH)	H(CCCH)	107.4925	0.206	2	107.4925	0.042	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]2H)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]2H)(COO)(H)2	H(CCCH)	H(CCCH)	107.4625	0.071	2	107.4625	0.005	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]CC)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]CC)(CCO)(H)2	H(CCCH)	H(CCCH)	109.2510	0.000	1	109.2510	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]CC)(CC[6]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]CC)(CC[6]O)(H)2	H(CCCH)	H(CCCH)	107.3600	0.010	2	107.3600	0.000	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]CC)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]CC)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.3980	0.000	1	107.3980	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]CC)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]CC)(COO)(H)2	H(CCCH)	H(CCCH)	107.6035	0.281	2	107.6035	0.079	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]CH)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]CH)(CCC)(H)2	H(CCCH)	H(CCCH)	107.2980	0.000	1	107.2980	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]CH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]CH)(CCH)(H)2	H(CCCH)	H(CCCH)	107.3200	0.000	1	107.3200	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]CH)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]CH)(CCO)(H)2	H(CCCH)	H(CCCH)	108.8995	1.958	4	108.8995	3.836	4	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]CH)(CC[5]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]CH)(CC[5]O)(H)2	H(CCCH)	H(CCCH)	107.6820	0.000	1	107.6820	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]CH)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]CH)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	107.7085	0.136	2	107.7085	0.019	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]CH)(CC[6a]N)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]CH)(CC[6a]N)(H)2	H(CCCH)	H(CCCH)	107.5760	0.000	1	107.5760	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]CH)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]CH)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.9211	0.611	8	107.9211	0.373	8	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]CH)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]CH)(CNO)(H)2	H(CCCH)	H(CCCH)	107.9360	0.000	1	107.9360	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]CH)(CN[5]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]CH)(CN[5]O)(H)2	H(CCCH)	H(CCCH)	108.3370	0.000	1	108.3370	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]CO)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]CO)(CCH)(H)2	H(CCCH)	H(CCCH)	107.7740	0.000	1	107.7740	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[5]H)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C[5]H)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	107.8105	0.056	2	107.8105	0.003	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[5]H)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C[5]H)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.8280	0.000	1	107.8280	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]H)(CCN)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C[6a]H)(CCN)(H)2	H(CCCH)	H(CCCH)	107.8110	0.564	2	107.8110	0.318	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]H)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C[6a]H)(CCO)(H)2	H(CCCH)	H(CCCH)	107.4777	0.367	3	107.4777	0.135	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]H)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C[6a]H)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	108.0700	0.000	1	108.0700	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]H)(CC[6a]C)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C[6a]H)(CC[6a]C)(H)2	H(CCCH)	H(CCCH)	107.9440	0.000	1	107.9440	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]H)(CC[6a]N)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C[6a]H)(CC[6a]N)(H)2	H(CCCH)	H(CCCH)	107.4480	0.000	1	107.4480	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]H)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C[6a]H)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.5210	0.028	3	107.5210	0.001	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]H)(CHO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C[6a]H)(CHO)(H)2	H(CCCH)	H(CCCH)	107.7980	0.000	1	107.7980	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]H)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C[6a]H)(CNO)(H)2	H(CCCH)	H(CCCH)	111.5020	0.000	1	111.5020	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]H)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C[6a]H)(COO)(H)2	H(CCCH)	H(CCCH)	107.9980	0.000	1	107.9980	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	107.6825	0.221	2	107.6825	0.049	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HH)(CCO)(H)2	H(CCCH)	H(CCCH)	107.4660	0.242	6	107.4660	0.058	6	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HH)(CNO)(H)2	H(CCCH)	H(CCCH)	107.7260	0.000	1	107.7260	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HH)(COO)(H)2	H(CCCH)	H(CCCH)	107.5048	1.086	39	107.5048	1.179	39	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HN)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HN)(CCC)(H)2	H(CCCH)	H(CCCH)	107.6620	0.000	1	107.6620	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HN)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HN)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	107.8830	0.146	2	107.8830	0.021	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HN)(CC[6a]N)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HN)(CC[6a]N)(H)2	H(CCCH)	H(CCCH)	107.9830	0.000	1	107.9830	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HN)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HN)(COO)(H)2	H(CCCH)	H(CCCH)	107.7910	0.000	1	107.7910	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HO)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HO)(CNO)(H)2	H(CCCH)	H(CCCH)	107.7940	0.000	1	107.7940	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HS)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HS)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	95.3806	0.000	1	95.3806	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HS)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HS)(CNO)(H)2	H(CCCH)	H(CCCH)	107.7690	0.000	1	107.7690	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]N[5]H)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]N[5]H)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.9410	0.000	1	107.9410	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6,6]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6,6]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	109.7240	0.000	1	109.7240	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6,6]HO)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6,6]HO)(CCH)(H)2	H(CCCH)	H(CCCH)	106.6530	1.774	3	106.6530	3.146	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]2H)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[6]2H)(CCO)(H)2	H(CCCH)	H(CCCH)	109.4795	0.063	2	109.4795	0.004	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]2H)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6]2H)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.4480	0.000	1	107.4480	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]2O)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]2O)(CCH)(H)2	H(CCCH)	H(CCCH)	107.6795	0.050	2	107.6795	0.003	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]CC)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[6]CC)(CCC)(H)2	H(CCCH)	H(CCCH)	108.7700	0.000	1	108.7700	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]CC)(CC[6]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6]CC)(CC[6]O)(H)2	H(CCCH)	H(CCCH)	109.8300	0.000	1	109.8300	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]CC)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[6]CC)(CNO)(H)2	H(CCCH)	H(CCCH)	107.6470	0.000	1	107.6470	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]CH)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[6]CH)(CCC)(H)2	H(CCCH)	H(CCCH)	107.6780	0.000	1	107.6780	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]CH)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[6]CH)(CCO)(H)2	H(CCCH)	H(CCCH)	107.4946	0.338	5	107.4946	0.114	5	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]CH)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6]CH)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	107.5260	0.000	1	107.5260	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]CH)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[6]CH)(CNO)(H)2	H(CCCH)	H(CCCH)	107.9940	0.000	1	107.9940	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]CH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[6]CH)(COO)(H)2	H(CCCH)	H(CCCH)	108.1780	1.455	10	108.1780	2.118	10	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]CN)(CC[6]N)(H)2	H(CCCH)	H(CCCH)	C(CC[6]CN)(CC[6]N)(H)2	H(CCCH)	H(CCCH)	107.9230	0.000	1	107.9230	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CCC)(H)2	H(CCCH)	H(CCCH)	107.9684	1.372	50	107.9684	1.884	50	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	107.1303	1.581	64	107.1303	2.499	64	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CCN)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CCN)(H)2	H(CCCH)	H(CCCH)	108.0140	0.000	1	108.0140	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CCO)(H)2	H(CCCH)	H(CCCH)	107.9306	0.791	17	107.9306	0.625	17	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CC[4]C)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CC[4]C)(H)2	H(CCCH)	H(CCCH)	107.6151	0.272	12	107.6151	0.074	12	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CC[4]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CC[4]O)(H)2	H(CCCH)	H(CCCH)	107.6843	0.262	3	107.6843	0.069	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CC[5]C)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CC[5]C)(H)2	H(CCCH)	H(CCCH)	107.8637	0.125	6	107.8637	0.016	6	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CC[6]H)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CC[6]H)(H)2	H(CCCH)	H(CCCH)	108.9250	0.000	1	108.9250	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CC[6]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CC[6]O)(H)2	H(CCCH)	H(CCCH)	107.6140	0.000	1	107.6140	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.7355	0.275	11	107.7355	0.075	11	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CNO)(H)2	H(CCCH)	H(CCCH)	107.6933	0.259	7	107.6933	0.067	7	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(COO)(H)2	H(CCCH)	H(CCCH)	107.7546	0.971	32	107.7546	0.944	32	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CRuH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CRuH)(H)2	H(CCCH)	H(CCCH)	107.3550	0.007	2	107.3550	0.000	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HN)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HN)(COO)(H)2	H(CCCH)	H(CCCH)	107.9240	0.013	2	107.9240	0.000	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HO)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HO)(CCC)(H)2	H(CCCH)	H(CCCH)	107.4807	0.113	3	107.4807	0.013	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HO)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HO)(CCH)(H)2	H(CCCH)	H(CCCH)	108.6595	1.623	2	108.6595	2.634	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HO)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HO)(CCO)(H)2	H(CCCH)	H(CCCH)	107.6728	0.352	10	107.6728	0.124	10	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HO)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HO)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	107.8250	0.000	1	107.8250	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HO)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HO)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.6630	0.000	1	107.6630	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HO)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HO)(CNO)(H)2	H(CCCH)	H(CCCH)	107.4750	0.000	1	107.4750	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HO)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HO)(COO)(H)2	H(CCCH)	H(CCCH)	107.7990	0.000	1	107.7990	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HP)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HP)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.8025	0.217	2	107.8025	0.047	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HP)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HP)(CNO)(H)2	H(CCCH)	H(CCCH)	108.2630	0.000	1	108.2630	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HP)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HP)(COO)(H)2	H(CCCH)	H(CCCH)	98.4280	0.000	1	98.4280	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]N[5]H)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]N[5]H)(CCH)(H)2	H(CCCH)	H(CCCH)	107.7790	0.079	2	107.7790	0.006	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6]PdH)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[6]PdH)(CCO)(H)2	H(CCCH)	H(CCCH)	107.4400	0.000	1	107.4400	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]2C)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2C)(CCC)(H)2	H(CCCH)	H(CCCH)	109.5020	0.000	1	109.5020	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]2C)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2C)(CCH)(H)2	H(CCCH)	H(CCCH)	107.6340	0.238	2	107.6340	0.056	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]2C)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2C)(CCO)(H)2	H(CCCH)	H(CCCH)	107.2770	0.000	1	107.2770	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]2H)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2H)(CCH)(H)2	H(CCCH)	H(CCCH)	107.8060	0.000	1	107.8060	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]2H)(CC[6]C)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2H)(CC[6]C)(H)2	H(CCCH)	H(CCCH)	107.7800	0.000	1	107.7800	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]2H)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2H)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.7728	0.053	5	107.7728	0.003	5	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]2H)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2H)(CNO)(H)2	H(CCCH)	H(CCCH)	107.8806	0.165	5	107.8806	0.027	5	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]2H)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2H)(COO)(H)2	H(CCCH)	H(CCCH)	107.9300	0.000	1	107.9300	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]2O)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2O)(CCH)(H)2	H(CCCH)	H(CCCH)	107.9540	0.000	1	107.9540	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]2O)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2O)(CCO)(H)2	H(CCCH)	H(CCCH)	107.5680	0.000	1	107.5680	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]3)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]3)(CCH)(H)2	H(CCCH)	H(CCCH)	106.9980	0.000	1	106.9980	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]3)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]3)(COO)(H)2	H(CCCH)	H(CCCH)	108.4550	0.000	1	108.4550	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]B[5]C)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]B[5]C)(COO)(H)2	H(CCCH)	H(CCCH)	107.8200	0.000	1	107.8200	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]B[5]H)(CN[5]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]B[5]H)(CN[5]O)(H)2	H(CCCH)	H(CCCH)	108.0075	0.152	4	108.0075	0.023	4	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]BrH)(CN[5]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]BrH)(CN[5]O)(H)2	H(CCCH)	H(CCCH)	108.0660	0.000	1	108.0660	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CC)(CCC)(H)2	H(CCCH)	H(CCCH)	109.0524	1.306	5	109.0524	1.705	5	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CC)(CCH)(H)2	H(CCCH)	H(CCCH)	107.6785	0.234	10	107.6785	0.055	10	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CC)(CCO)(H)2	H(CCCH)	H(CCCH)	106.6125	1.653	2	106.6125	2.731	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(CC[5]C)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CC)(CC[5]C)(H)2	H(CCCH)	H(CCCH)	105.9430	2.338	2	105.9430	5.465	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CC)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	107.6897	0.110	3	107.6897	0.012	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CC)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.6782	0.406	5	107.6782	0.164	5	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CC)(CNO)(H)2	H(CCCH)	H(CCCH)	107.5420	0.000	1	107.5420	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CCC)(H)2	H(CCCH)	H(CCCH)	107.9605	0.103	2	107.9605	0.011	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CCH)(H)2	H(CCCH)	H(CCCH)	107.7241	0.313	7	107.7241	0.098	7	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CCI)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CCI)(H)2	H(CCCH)	H(CCCH)	107.4420	0.000	1	107.4420	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CCN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CCN)(H)2	H(CCCH)	H(CCCH)	107.5350	0.000	1	107.5350	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CCO)(H)2	H(CCCH)	H(CCCH)	108.6507	4.225	14	108.6507	17.849	14	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	107.8407	0.171	13	107.8407	0.029	13	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CC[6]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CC[6]O)(H)2	H(CCCH)	H(CCCH)	107.7780	0.031	2	107.7780	0.001	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CC[6a]C)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CC[6a]C)(H)2	H(CCCH)	H(CCCH)	107.8467	0.179	3	107.8467	0.032	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CC[6a]N)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CC[6a]N)(H)2	H(CCCH)	H(CCCH)	108.0308	0.144	5	108.0308	0.021	5	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.7042	0.961	69	107.7042	0.924	69	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CHO)(H)2	H(CCCH)	H(CCCH)	107.7692	0.169	4	107.7692	0.028	4	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CNO)(H)2	H(CCCH)	H(CCCH)	107.8851	0.218	15	107.8851	0.047	15	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CNS)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CNS)(H)2	H(CCCH)	H(CCCH)	107.7415	0.060	2	107.7415	0.004	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CN[5]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CN[5]O)(H)2	H(CCCH)	H(CCCH)	105.4106	6.894	8	105.4106	47.527	8	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CN[5a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CN[5a]O)(H)2	H(CCCH)	H(CCCH)	108.2525	0.820	2	108.2525	0.672	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(COO)(H)2	H(CCCH)	H(CCCH)	107.7387	0.295	70	107.7387	0.087	70	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(COS)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(COS)(H)2	H(CCCH)	H(CCCH)	107.7515	0.026	2	107.7515	0.001	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CN)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CN)(CCH)(H)2	H(CCCH)	H(CCCH)	107.7585	0.063	2	107.7585	0.004	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CN)(CC[6a]N)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CN)(CC[6a]N)(H)2	H(CCCH)	H(CCCH)	107.7283	0.195	4	107.7283	0.038	4	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CN)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CN)(COO)(H)2	H(CCCH)	H(CCCH)	107.2640	0.000	1	107.2640	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CO)(CCC)(H)2	H(CCCH)	H(CCCH)	107.6820	0.000	1	107.6820	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CO)(CCH)(H)2	H(CCCH)	H(CCCH)	107.7335	0.127	13	107.7335	0.016	13	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CO)(CCO)(H)2	H(CCCH)	H(CCCH)	107.9518	0.850	5	107.9518	0.723	5	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(CC[6a]C)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CO)(CC[6a]C)(H)2	H(CCCH)	H(CCCH)	107.8790	0.000	1	107.8790	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(CC[6a]N)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CO)(CC[6a]N)(H)2	H(CCCH)	H(CCCH)	107.8450	0.000	1	107.8450	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CO)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	106.5420	0.000	1	106.5420	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CO)(CNO)(H)2	H(CCCH)	H(CCCH)	107.7250	0.000	1	107.7250	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(CN[5]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CO)(CN[5]O)(H)2	H(CCCH)	H(CCCH)	106.5460	0.000	2	106.5460	0.000	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CO)(COO)(H)2	H(CCCH)	H(CCCH)	108.6795	1.293	2	108.6795	1.673	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CP)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CP)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.2410	0.000	1	107.2410	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CS)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CS)(CCH)(H)2	H(CCCH)	H(CCCH)	107.8210	0.396	2	107.8210	0.157	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CS)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CS)(CNO)(H)2	H(CCCH)	H(CCCH)	107.8760	0.000	1	107.8760	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5]C)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[5]C)(CCC)(H)2	H(CCCH)	H(CCCH)	107.6440	0.000	1	107.6440	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5]C)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[5]C)(CCH)(H)2	H(CCCH)	H(CCCH)	105.8240	1.303	3	105.8240	1.697	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5]H)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[5]H)(CCO)(H)2	H(CCCH)	H(CCCH)	107.9236	0.612	17	107.9236	0.374	17	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5]H)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[5]H)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	107.9840	0.000	1	107.9840	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5]H)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.7296	0.147	13	107.7296	0.022	13	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]C)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[6]C)(CCH)(H)2	H(CCCH)	H(CCCH)	108.9560	2.095	4	108.9560	4.387	4	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]H)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[6]H)(CCH)(H)2	H(CCCH)	H(CCCH)	107.9360	0.000	1	107.9360	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]H)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[6]H)(CCO)(H)2	H(CCCH)	H(CCCH)	106.9653	1.628	3	106.9653	2.649	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]H)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[6]H)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	107.8270	0.000	1	107.8270	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]H)(CC[6]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[6]H)(CC[6]O)(H)2	H(CCCH)	H(CCCH)	107.7385	0.120	2	107.7385	0.014	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]H)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.9496	0.590	14	107.9496	0.348	14	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]H)(CHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[6]H)(CHH)(H)2	H(CCCH)	H(CCCH)	103.8270	0.000	1	103.8270	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]H)(CNS)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[6]H)(CNS)(H)2	H(CCCH)	H(CCCH)	108.2060	0.000	1	108.2060	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]H)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[6]H)(COO)(H)2	H(CCCH)	H(CCCH)	107.8170	0.199	2	107.8170	0.040	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]O)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[6]O)(CCO)(H)2	H(CCCH)	H(CCCH)	107.4760	0.098	2	107.4760	0.010	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]ClH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]ClH)(COO)(H)2	H(CCCH)	H(CCCH)	107.9940	0.000	1	107.9940	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]GeH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]GeH)(COO)(H)2	H(CCCH)	H(CCCH)	108.6330	1.140	2	108.6330	1.299	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CCC)(H)2	H(CCCH)	H(CCCH)	108.6225	0.690	4	108.6225	0.476	4	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	107.8500	0.133	3	107.8500	0.018	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CCN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CCN)(H)2	H(CCCH)	H(CCCH)	107.8569	0.231	9	107.8569	0.053	9	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CCO)(H)2	H(CCCH)	H(CCCH)	107.6364	0.287	28	107.6364	0.083	28	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CCP)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CCP)(H)2	H(CCCH)	H(CCCH)	107.5080	0.000	1	107.5080	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CC[4]Cl)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CC[4]Cl)(H)2	H(CCCH)	H(CCCH)	104.5020	0.000	1	104.5020	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CC[5]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CC[5]O)(H)2	H(CCCH)	H(CCCH)	107.7045	0.161	4	107.7045	0.026	4	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	107.7162	0.228	5	107.7162	0.052	5	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CC[6]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CC[6]O)(H)2	H(CCCH)	H(CCCH)	107.7970	0.299	4	107.7970	0.089	4	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CC[6a]H)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CC[6a]H)(H)2	H(CCCH)	H(CCCH)	129.1700	0.000	1	129.1700	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.5368	1.688	12	107.5368	2.848	12	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CHH)(H)2	H(CCCH)	H(CCCH)	107.5520	0.000	1	107.5520	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CNO)(H)2	H(CCCH)	H(CCCH)	108.2649	1.023	18	108.2649	1.047	18	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CN[5a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CN[5a]O)(H)2	H(CCCH)	H(CCCH)	108.0007	0.114	3	108.0007	0.013	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CN[6]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CN[6]O)(H)2	H(CCCH)	H(CCCH)	108.0270	0.000	1	108.0270	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(COO)(H)2	H(CCCH)	H(CCCH)	108.1868	2.086	50	108.1868	4.351	50	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CPdO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CPdO)(H)2	H(CCCH)	H(CCCH)	107.8810	0.000	1	107.8810	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CCC)(H)2	H(CCCH)	H(CCCH)	107.9877	0.638	3	107.9877	0.406	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CCF)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CCF)(H)2	H(CCCH)	H(CCCH)	107.7550	0.000	1	107.7550	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CCH)(H)2	H(CCCH)	H(CCCH)	107.8031	0.334	7	107.8031	0.112	7	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CCN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CCN)(H)2	H(CCCH)	H(CCCH)	107.9510	0.000	1	107.9510	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CCO)(H)2	H(CCCH)	H(CCCH)	106.8416	2.088	5	106.8416	4.360	5	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CCS)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CCS)(H)2	H(CCCH)	H(CCCH)	107.8540	0.088	2	107.8540	0.008	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CC[4]H)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CC[4]H)(H)2	H(CCCH)	H(CCCH)	107.5680	0.000	1	107.5680	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CC[5]N)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CC[5]N)(H)2	H(CCCH)	H(CCCH)	110.6560	0.000	1	110.6560	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CC[6a]C)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CC[6a]C)(H)2	H(CCCH)	H(CCCH)	106.8543	1.036	3	106.8543	1.073	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CC[6a]N)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CC[6a]N)(H)2	H(CCCH)	H(CCCH)	108.0601	0.939	9	108.0601	0.882	9	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	106.6835	1.740	8	106.6835	3.026	8	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CNO)(H)2	H(CCCH)	H(CCCH)	107.7045	3.067	13	107.7045	9.409	13	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CN[5]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CN[5]O)(H)2	H(CCCH)	H(CCCH)	107.7070	0.150	2	107.7070	0.022	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(COO)(H)2	H(CCCH)	H(CCCH)	107.8566	0.235	19	107.8566	0.055	19	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HO)(CCC)(H)2	H(CCCH)	H(CCCH)	107.7270	0.041	2	107.7270	0.002	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HO)(CCH)(H)2	H(CCCH)	H(CCCH)	108.2819	1.940	15	108.2819	3.765	15	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HO)(CCO)(H)2	H(CCCH)	H(CCCH)	107.7010	0.198	10	107.7010	0.039	10	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(CC[5]C)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HO)(CC[5]C)(H)2	H(CCCH)	H(CCCH)	107.7530	0.000	1	107.7530	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(CC[5]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HO)(CC[5]O)(H)2	H(CCCH)	H(CCCH)	107.3450	0.000	1	107.3450	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HO)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	107.9080	0.000	1	107.9080	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(CC[6a]N)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HO)(CC[6a]N)(H)2	H(CCCH)	H(CCCH)	108.4615	1.363	2	108.4615	1.857	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HO)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	108.0470	2.048	7	108.0470	4.194	7	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HO)(CNO)(H)2	H(CCCH)	H(CCCH)	107.6790	0.354	4	107.6790	0.125	4	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HO)(COO)(H)2	H(CCCH)	H(CCCH)	108.3810	1.318	4	108.3810	1.736	4	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HP)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HP)(CCO)(H)2	H(CCCH)	H(CCCH)	107.7532	0.239	5	107.7532	0.057	5	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HP)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HP)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.7469	0.198	24	107.7469	0.039	24	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HP)(CHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HP)(CHO)(H)2	H(CCCH)	H(CCCH)	107.6080	0.000	1	107.6080	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HP)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HP)(CNO)(H)2	H(CCCH)	H(CCCH)	108.0803	0.081	4	108.0803	0.007	4	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HP)(CN[5a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HP)(CN[5a]O)(H)2	H(CCCH)	H(CCCH)	107.7655	0.069	2	107.7655	0.005	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HP)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HP)(COO)(H)2	H(CCCH)	H(CCCH)	107.8930	0.122	5	107.8930	0.015	5	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HP)(CRhO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HP)(CRhO)(H)2	H(CCCH)	H(CCCH)	107.5340	0.030	2	107.5340	0.001	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HS)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HS)(CCC)(H)2	H(CCCH)	H(CCCH)	107.7770	0.000	1	107.7770	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HS)(CC[6a]N)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HS)(CC[6a]N)(H)2	H(CCCH)	H(CCCH)	107.9260	0.126	3	107.9260	0.016	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HS)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HS)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.8010	0.021	2	107.8010	0.000	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HS)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HS)(CNO)(H)2	H(CCCH)	H(CCCH)	107.7920	0.000	1	107.7920	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HS)(CN[5]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HS)(CN[5]O)(H)2	H(CCCH)	H(CCCH)	107.8850	0.000	1	107.8850	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HS)(COS)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HS)(COS)(H)2	H(CCCH)	H(CCCH)	107.6730	0.000	1	107.6730	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]IrH)(CC[5]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]IrH)(CC[5]O)(H)2	H(CCCH)	H(CCCH)	105.8310	0.000	1	105.8310	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[5]C)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]N[5]C)(CCH)(H)2	H(CCCH)	H(CCCH)	107.8120	0.000	1	107.8120	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[5]H)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]N[5]H)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.7693	0.155	19	107.7693	0.024	19	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[5]H)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]N[5]H)(COO)(H)2	H(CCCH)	H(CCCH)	107.8010	0.000	1	107.8010	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[5a]H)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]N[5a]H)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.6545	0.028	2	107.6545	0.001	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[5a]H)(COO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]N[5a]H)(COO)(H)2	H(CCCH)	H(CCCH)	107.9210	0.000	1	107.9210	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[6]H)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]N[6]H)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.6180	0.000	1	107.6180	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]NiC)(CCN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]NiC)(CCN)(H)2	H(CCCH)	H(CCCH)	108.1410	0.000	1	108.1410	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]OP)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]OP)(CCO)(H)2	H(CCCH)	H(CCCH)	107.2090	0.000	2	107.2090	0.000	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]PdH)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]PdH)(CNO)(H)2	H(CCCH)	H(CCCH)	107.3795	0.411	2	107.3795	0.169	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CClCH)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CClCH)(CCC)(H)2	H(CCCH)	H(CCCH)	107.6185	0.227	4	107.6185	0.052	4	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CClCH)(CCI)(H)2	H(CCCH)	H(CCCH)	C(CClCH)(CCI)(H)2	H(CCCH)	H(CCCH)	107.8100	0.000	1	107.8100	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CClCH)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CClCH)(CCO)(H)2	H(CCCH)	H(CCCH)	107.9210	0.000	1	107.9210	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CClCH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CClCH)(COO)(H)2	H(CCCH)	H(CCCH)	107.8604	0.153	5	107.8604	0.023	5	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CClHH)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CClHH)(CNO)(H)2	H(CCCH)	H(CCCH)	107.5061	0.853	8	107.5061	0.728	8	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CClHH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CClHH)(COO)(H)2	H(CCCH)	H(CCCH)	107.8347	0.233	15	107.8347	0.054	15	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCo2C)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CCo2C)(CCH)(H)2	H(CCCH)	H(CCCH)	107.6790	0.000	1	107.6790	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCo2Mo)(COO)(H)2	H(CCCH)	H(CCCH)	C(CCo2Mo)(COO)(H)2	H(CCCH)	H(CCCH)	107.6130	0.000	1	107.6130	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCoCC)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CCoCC)(CCC)(H)2	H(CCCH)	H(CCCH)	105.9520	0.000	1	105.9520	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCoCC)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CCoCC)(CCH)(H)2	H(CCCH)	H(CCCH)	108.1180	0.000	1	108.1180	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCoCH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CCoCH)(COO)(H)2	H(CCCH)	H(CCCH)	107.6820	0.000	1	107.6820	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CCoHH)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CCoHH)(CNO)(H)2	H(CCCH)	H(CCCH)	107.6280	0.472	2	107.6280	0.223	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CF3)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CF3)(CCH)(H)2	H(CCCH)	H(CCCH)	107.7740	0.078	2	107.7740	0.006	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CF3)(CNS)(H)2	H(CCCH)	H(CCCH)	C(CF3)(CNS)(H)2	H(CCCH)	H(CCCH)	107.7720	0.000	1	107.7720	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CFe2C)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CFe2C)(CNO)(H)2	H(CCCH)	H(CCCH)	108.3640	0.000	1	108.3640	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CFeCH)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CFeCH)(CCO)(H)2	H(CCCH)	H(CCCH)	108.4710	0.000	1	108.4710	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CGaCH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CGaCH)(CCH)(H)2	H(CCCH)	H(CCCH)	107.9390	0.000	1	107.9390	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CGeCC)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CGeCC)(CCO)(H)2	H(CCCH)	H(CCCH)	107.5480	0.000	1	107.5480	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CGeCC)(COO)(H)2	H(CCCH)	H(CCCH)	C(CGeCC)(COO)(H)2	H(CCCH)	H(CCCH)	107.5446	0.242	5	107.5446	0.058	5	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CGe[4]CC)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CGe[4]CC)(CCO)(H)2	H(CCCH)	H(CCCH)	107.5450	0.000	1	107.5450	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CH3)(CBC)(H)2	H(CCCH)	H(CCCH)	C(CH3)(CBC)(H)2	H(CCCH)	H(CCCH)	107.7240	0.000	1	107.7240	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CH3)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CH3)(CCC)(H)2	H(CCCH)	H(CCCH)	107.8235	1.502	67	107.8235	2.256	67	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CH3)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CH3)(CCH)(H)2	H(CCCH)	H(CCCH)	107.7518	0.473	37	107.7518	0.224	37	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CH3)(CCI)(H)2	H(CCCH)	H(CCCH)	C(CH3)(CCI)(H)2	H(CCCH)	H(CCCH)	112.3600	0.000	1	112.3600	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CH3)(CCN)(H)2	H(CCCH)	H(CCCH)	C(CH3)(CCN)(H)2	H(CCCH)	H(CCCH)	107.8537	0.679	67	107.8537	0.461	67	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CH3)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CH3)(CCO)(H)2	H(CCCH)	H(CCCH)	107.6840	1.367	57	107.6840	1.869	57	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CH3)(CCP)(H)2	H(CCCH)	H(CCCH)	C(CH3)(CCP)(H)2	H(CCCH)	H(CCCH)	108.0530	0.932	4	108.0530	0.869	4	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CH3)(CCS)(H)2	H(CCCH)	H(CCCH)	C(CH3)(CCS)(H)2	H(CCCH)	H(CCCH)	103.1676	3.752	3	103.1676	14.078	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CH3)(CHH)(H)2	H(CCCH)	H(CCCH)	C(CH3)(CHH)(H)2	H(CCCH)	H(CCCH)	107.9610	1.612	24	107.9610	2.599	24	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CH3)(CHN)(H)2	H(CCCH)	H(CCCH)	C(CH3)(CHN)(H)2	H(CCCH)	H(CCCH)	109.6800	3.141	3	109.6800	9.869	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CH3)(CHO)(H)2	H(CCCH)	H(CCCH)	C(CH3)(CHO)(H)2	H(CCCH)	H(CCCH)	108.9285	2.009	2	108.9285	4.036	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CH3)(CHP)(H)2	H(CCCH)	H(CCCH)	C(CH3)(CHP)(H)2	H(CCCH)	H(CCCH)	107.8860	0.000	1	107.8860	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CH3)(CNN)(H)2	H(CCCH)	H(CCCH)	C(CH3)(CNN)(H)2	H(CCCH)	H(CCCH)	107.8091	0.416	54	107.8091	0.173	54	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CH3)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CH3)(CNO)(H)2	H(CCCH)	H(CCCH)	107.9208	1.554	111	107.9208	2.416	111	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CH3)(CNS)(H)2	H(CCCH)	H(CCCH)	C(CH3)(CNS)(H)2	H(CCCH)	H(CCCH)	107.4658	0.398	5	107.4658	0.158	5	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CH3)(CNW)(H)2	H(CCCH)	H(CCCH)	C(CH3)(CNW)(H)2	H(CCCH)	H(CCCH)	108.2355	0.067	2	108.2355	0.005	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CH3)(COO)(H)2	H(CCCH)	H(CCCH)	C(CH3)(COO)(H)2	H(CCCH)	H(CCCH)	107.5196	2.033	86	107.5196	4.135	86	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CH3)(CSS)(H)2	H(CCCH)	H(CCCH)	C(CH3)(CSS)(H)2	H(CCCH)	H(CCCH)	108.7384	0.910	7	108.7384	0.828	7	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CHHN)(CCH)(H)2	H(CCCH)	H(CCCH)	108.0566	1.172	39	108.0566	1.373	39	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(CCN)(H)2	H(CCCH)	H(CCCH)	C(CHHN)(CCN)(H)2	H(CCCH)	H(CCCH)	108.0120	0.000	1	108.0120	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(CHH)(H)2	H(CCCH)	H(CCCH)	C(CHHN)(CHH)(H)2	H(CCCH)	H(CCCH)	109.6214	1.055	5	109.6214	1.113	5	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(CHN)(H)2	H(CCCH)	H(CCCH)	C(CHHN)(CHN)(H)2	H(CCCH)	H(CCCH)	110.9842	6.199	6	110.9842	38.422	6	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CHHN)(CNO)(H)2	H(CCCH)	H(CCCH)	107.9298	0.879	70	107.9298	0.772	70	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(COO)(H)2	H(CCCH)	H(CCCH)	C(CHHN)(COO)(H)2	H(CCCH)	H(CCCH)	107.6086	1.194	89	107.6086	1.425	89	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CHHO)(CCC)(H)2	H(CCCH)	H(CCCH)	107.8919	0.465	7	107.8919	0.216	7	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CHHO)(CCH)(H)2	H(CCCH)	H(CCCH)	107.7292	1.072	32	107.7292	1.149	32	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CHHO)(CCO)(H)2	H(CCCH)	H(CCCH)	107.6587	0.061	3	107.6587	0.004	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(CCS)(H)2	H(CCCH)	H(CCCH)	C(CHHO)(CCS)(H)2	H(CCCH)	H(CCCH)	107.0150	1.029	3	107.0150	1.059	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(CHH)(H)2	H(CCCH)	H(CCCH)	C(CHHO)(CHH)(H)2	H(CCCH)	H(CCCH)	108.4898	0.895	9	108.4898	0.801	9	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CHHO)(CNO)(H)2	H(CCCH)	H(CCCH)	107.9970	0.000	2	107.9970	0.000	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(COO)(H)2	H(CCCH)	H(CCCH)	C(CHHO)(COO)(H)2	H(CCCH)	H(CCCH)	108.3910	2.096	8	108.3910	4.394	8	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(CSiC)(H)2	H(CCCH)	H(CCCH)	C(CHHO)(CSiC)(H)2	H(CCCH)	H(CCCH)	108.1950	0.000	1	108.1950	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(CBC)(H)2	H(CCCH)	H(CCCH)	C(CHHP)(CBC)(H)2	H(CCCH)	H(CCCH)	107.8500	0.000	1	107.8500	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CHHP)(CCC)(H)2	H(CCCH)	H(CCCH)	109.4970	0.000	1	109.4970	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(CCF)(H)2	H(CCCH)	H(CCCH)	C(CHHP)(CCF)(H)2	H(CCCH)	H(CCCH)	108.0210	0.000	1	108.0210	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CHHP)(CCH)(H)2	H(CCCH)	H(CCCH)	107.7700	0.192	3	107.7700	0.037	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(CCP)(H)2	H(CCCH)	H(CCCH)	C(CHHP)(CCP)(H)2	H(CCCH)	H(CCCH)	108.0790	0.000	1	108.0790	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(CHH)(H)2	H(CCCH)	H(CCCH)	C(CHHP)(CHH)(H)2	H(CCCH)	H(CCCH)	107.4920	0.000	1	107.4920	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(CHP)(H)2	H(CCCH)	H(CCCH)	C(CHHP)(CHP)(H)2	H(CCCH)	H(CCCH)	109.2620	2.964	3	109.2620	8.788	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CHHP)(CNO)(H)2	H(CCCH)	H(CCCH)	107.7170	0.000	1	107.7170	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(COO)(H)2	H(CCCH)	H(CCCH)	C(CHHP)(COO)(H)2	H(CCCH)	H(CCCH)	107.6917	0.398	19	107.6917	0.158	19	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CHHS)(CCH)(H)2	H(CCCH)	H(CCCH)	107.8757	0.179	3	107.8757	0.032	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CHHS)(CCO)(H)2	H(CCCH)	H(CCCH)	107.8733	0.054	3	107.8733	0.003	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(CHS)(H)2	H(CCCH)	H(CCCH)	C(CHHS)(CHS)(H)2	H(CCCH)	H(CCCH)	107.4570	0.000	1	107.4570	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(CNN)(H)2	H(CCCH)	H(CCCH)	C(CHHS)(CNN)(H)2	H(CCCH)	H(CCCH)	107.8385	0.005	2	107.8385	0.000	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CHHS)(CNO)(H)2	H(CCCH)	H(CCCH)	106.9568	2.207	13	106.9568	4.869	13	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(COO)(H)2	H(CCCH)	H(CCCH)	C(CHHS)(COO)(H)2	H(CCCH)	H(CCCH)	107.5862	1.039	31	107.5862	1.079	31	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHII)(COO)(H)2	H(CCCH)	H(CCCH)	C(CHII)(COO)(H)2	H(CCCH)	H(CCCH)	107.8240	0.000	1	107.8240	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHNO)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CHNO)(CCC)(H)2	H(CCCH)	H(CCCH)	107.9630	0.146	2	107.9630	0.021	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHOO)(COO)(H)2	H(CCCH)	H(CCCH)	C(CHOO)(COO)(H)2	H(CCCH)	H(CCCH)	107.8550	0.000	1	107.8550	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHPP)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CHPP)(CCO)(H)2	H(CCCH)	H(CCCH)	107.7660	0.052	2	107.7660	0.003	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHPP)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CHPP)(CNO)(H)2	H(CCCH)	H(CCCH)	107.8350	0.000	1	107.8350	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHPP)(COO)(H)2	H(CCCH)	H(CCCH)	C(CHPP)(COO)(H)2	H(CCCH)	H(CCCH)	107.6060	0.000	1	107.6060	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHSS)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CHSS)(CCH)(H)2	H(CCCH)	H(CCCH)	107.2940	0.000	1	107.2940	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CHSS)(CCN)(H)2	H(CCCH)	H(CCCH)	C(CHSS)(CCN)(H)2	H(CCCH)	H(CCCH)	107.4665	0.145	2	107.4665	0.021	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CInHH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CInHH)(CCH)(H)2	H(CCCH)	H(CCCH)	109.2160	0.000	1	109.2160	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CIrCC)(COO)(H)2	H(CCCH)	H(CCCH)	C(CIrCC)(COO)(H)2	H(CCCH)	H(CCCH)	107.9860	0.000	1	107.9860	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CIrCH)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CIrCH)(CCO)(H)2	H(CCCH)	H(CCCH)	108.0720	0.086	2	108.0720	0.007	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CIrCH)(CHH)(H)2	H(CCCH)	H(CCCH)	C(CIrCH)(CHH)(H)2	H(CCCH)	H(CCCH)	108.4480	0.000	1	108.4480	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CIrCH)(COP)(H)2	H(CCCH)	H(CCCH)	C(CIrCH)(COP)(H)2	H(CCCH)	H(CCCH)	107.5520	0.000	1	107.5520	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CIrHH)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CIrHH)(CCC)(H)2	H(CCCH)	H(CCCH)	108.3465	0.207	2	108.3465	0.043	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CMoCH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CMoCH)(CCH)(H)2	H(CCCH)	H(CCCH)	109.7270	0.000	1	109.7270	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[4]CH)(CC[6a]N)(H)2	H(CCCH)	H(CCCH)	C(CN[4]CH)(CC[6a]N)(H)2	H(CCCH)	H(CCCH)	107.9130	0.000	1	107.9130	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[4]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CN[4]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	107.7240	0.154	2	107.7240	0.024	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[5]CH)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CN[5]CH)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.7240	0.690	2	107.7240	0.476	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[5]CH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CN[5]CH)(COO)(H)2	H(CCCH)	H(CCCH)	107.6963	0.313	6	107.6963	0.098	6	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CBrC)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CBrC)(H)2	H(CCCH)	H(CCCH)	108.0190	0.000	1	108.0190	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CCC)(H)2	H(CCCH)	H(CCCH)	107.8620	0.000	1	107.8620	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	107.5439	0.916	9	107.5439	0.838	9	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CCO)(H)2	H(CCCH)	H(CCCH)	108.0083	0.790	3	108.0083	0.624	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CC[6]O)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CC[6]O)(H)2	H(CCCH)	H(CCCH)	107.4588	0.165	4	107.4588	0.027	4	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.9459	0.906	15	107.9459	0.820	15	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CHH)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CHH)(H)2	H(CCCH)	H(CCCH)	109.8260	2.232	2	109.8260	4.980	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CNO)(H)2	H(CCCH)	H(CCCH)	107.3859	3.647	7	107.3859	13.297	7	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CN[5]O)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CN[5]O)(H)2	H(CCCH)	H(CCCH)	108.3350	0.000	1	108.3350	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(COO)(H)2	H(CCCH)	H(CCCH)	107.7823	0.274	32	107.7823	0.075	32	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HN)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HN)(CCC)(H)2	H(CCCH)	H(CCCH)	108.0040	0.000	1	108.0040	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[5a]CC)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]CC)(CCO)(H)2	H(CCCH)	H(CCCH)	107.1445	0.050	2	107.1445	0.003	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[5a]CH)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]CH)(CCO)(H)2	H(CCCH)	H(CCCH)	107.4020	0.007	2	107.4020	0.000	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[5a]CH)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]CH)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.5075	0.131	2	107.5075	0.017	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[5a]CH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]CH)(COO)(H)2	H(CCCH)	H(CCCH)	107.8760	0.199	2	107.8760	0.040	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	108.3250	0.263	2	108.3250	0.069	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(CC[6a]N)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]HH)(CC[6a]N)(H)2	H(CCCH)	H(CCCH)	107.8107	0.261	3	107.8107	0.068	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]HH)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.8013	0.139	35	107.8013	0.019	35	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(CHH)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]HH)(CHH)(H)2	H(CCCH)	H(CCCH)	103.2130	0.000	1	103.2130	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]HH)(CNO)(H)2	H(CCCH)	H(CCCH)	107.8696	0.208	7	107.8696	0.043	7	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]HH)(COO)(H)2	H(CCCH)	H(CCCH)	107.7606	0.240	22	107.7606	0.058	22	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[5a]HO)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]HO)(CNO)(H)2	H(CCCH)	H(CCCH)	108.1125	0.101	2	108.1125	0.010	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[6]CH)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CN[6]CH)(CNO)(H)2	H(CCCH)	H(CCCH)	107.6996	0.338	16	107.6996	0.114	16	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[6]CH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CN[6]CH)(COO)(H)2	H(CCCH)	H(CCCH)	107.7020	0.379	11	107.7020	0.144	11	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CN[6]HH)(CCH)(H)2	H(CCCH)	H(CCCH)	108.4170	0.370	3	108.4170	0.137	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(CC[5]O)(H)2	H(CCCH)	H(CCCH)	C(CN[6]HH)(CC[5]O)(H)2	H(CCCH)	H(CCCH)	107.5110	0.000	1	107.5110	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	C(CN[6]HH)(CC[5a]O)(H)2	H(CCCH)	H(CCCH)	108.2860	0.000	1	108.2860	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	C(CN[6]HH)(CC[6a]O)(H)2	H(CCCH)	H(CCCH)	107.4175	0.240	6	107.4175	0.057	6	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(CHH)(H)2	H(CCCH)	H(CCCH)	C(CN[6]HH)(CHH)(H)2	H(CCCH)	H(CCCH)	108.2750	0.000	1	108.2750	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CN[6]HH)(CNO)(H)2	H(CCCH)	H(CCCH)	107.9968	0.175	10	107.9968	0.031	10	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(CN[6]O)(H)2	H(CCCH)	H(CCCH)	C(CN[6]HH)(CN[6]O)(H)2	H(CCCH)	H(CCCH)	107.8860	0.014	2	107.8860	0.000	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CN[6]HH)(COO)(H)2	H(CCCH)	H(CCCH)	107.7468	0.244	13	107.7468	0.060	13	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[6a]HH)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CN[6a]HH)(CNO)(H)2	H(CCCH)	H(CCCH)	107.9112	0.173	6	107.9112	0.030	6	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[6a]HH)(CN[6]O)(H)2	H(CCCH)	H(CCCH)	C(CN[6a]HH)(CN[6]O)(H)2	H(CCCH)	H(CCCH)	107.9055	0.004	2	107.9055	0.000	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CN[6a]HH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CN[6a]HH)(COO)(H)2	H(CCCH)	H(CCCH)	107.8748	0.249	16	107.8748	0.062	16	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CNiCC)(COO)(H)2	H(CCCH)	H(CCCH)	C(CNiCC)(COO)(H)2	H(CCCH)	H(CCCH)	107.7250	0.717	4	107.7250	0.514	4	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CNiCH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CNiCH)(COO)(H)2	H(CCCH)	H(CCCH)	108.3445	0.084	2	108.3445	0.007	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CNiHH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CNiHH)(COO)(H)2	H(CCCH)	H(CCCH)	107.5017	2.375	11	107.5017	5.639	11	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(COOU)(CCH)(H)2	H(CCCH)	H(CCCH)	C(COOU)(CCH)(H)2	H(CCCH)	H(CCCH)	106.7465	2.864	2	106.7465	8.205	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(COsCC)(CCP)(H)2	H(CCCH)	H(CCCH)	C(COsCC)(CCP)(H)2	H(CCCH)	H(CCCH)	105.1720	0.000	1	105.1720	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(COsCH)(CCP)(H)2	H(CCCH)	H(CCCH)	C(COsCH)(CCP)(H)2	H(CCCH)	H(CCCH)	104.7870	0.000	2	104.7870	0.000	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CPdCH)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CPdCH)(CCO)(H)2	H(CCCH)	H(CCCH)	108.0247	0.218	3	108.0247	0.048	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CPdCH)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CPdCH)(CNO)(H)2	H(CCCH)	H(CCCH)	107.6733	0.117	3	107.6733	0.014	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CPdCH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CPdCH)(COO)(H)2	H(CCCH)	H(CCCH)	107.7400	0.000	1	107.7400	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CPdHH)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CPdHH)(CCO)(H)2	H(CCCH)	H(CCCH)	107.9303	0.706	7	107.9303	0.499	7	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CPtCH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CPtCH)(CCH)(H)2	H(CCCH)	H(CCCH)	106.7070	0.000	1	106.7070	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CPtHH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CPtHH)(CCH)(H)2	H(CCCH)	H(CCCH)	107.6250	0.000	1	107.6250	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CRhCH)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CRhCH)(CCH)(H)2	H(CCCH)	H(CCCH)	107.6600	0.045	2	107.6600	0.002	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CRuCC)(CCC)(H)2	H(CCCH)	H(CCCH)	C(CRuCC)(CCC)(H)2	H(CCCH)	H(CCCH)	108.9220	0.000	1	108.9220	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CRuCH)(CCO)(H)2	H(CCCH)	H(CCCH)	C(CRuCH)(CCO)(H)2	H(CCCH)	H(CCCH)	108.5080	0.000	1	108.5080	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CSeHH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CSeHH)(COO)(H)2	H(CCCH)	H(CCCH)	107.7050	0.215	2	107.7050	0.046	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CSi2H)(CHO)(H)2	H(CCCH)	H(CCCH)	C(CSi2H)(CHO)(H)2	H(CCCH)	H(CCCH)	107.5650	0.000	1	107.5650	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CSiCH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CSiCH)(COO)(H)2	H(CCCH)	H(CCCH)	107.4540	0.000	1	107.4540	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CSiCO)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CSiCO)(CCH)(H)2	H(CCCH)	H(CCCH)	107.6890	0.000	1	107.6890	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CSiHH)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CSiHH)(CNO)(H)2	H(CCCH)	H(CCCH)	107.9325	0.067	2	107.9325	0.005	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CSiHH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CSiHH)(COO)(H)2	H(CCCH)	H(CCCH)	107.7953	0.396	3	107.7953	0.157	3	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CSiHH)(CRhO)(H)2	H(CCCH)	H(CCCH)	C(CSiHH)(CRhO)(H)2	H(CCCH)	H(CCCH)	104.8370	0.000	1	104.8370	0.000	1	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CSnCC)(CCN)(H)2	H(CCCH)	H(CCCH)	C(CSnCC)(CCN)(H)2	H(CCCH)	H(CCCH)	107.4059	0.202	19	107.4059	0.041	19	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CSnHH)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CSnHH)(CNO)(H)2	H(CCCH)	H(CCCH)	107.8422	0.127	5	107.8422	0.016	5	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CSnHH)(COO)(H)2	H(CCCH)	H(CCCH)	C(CSnHH)(COO)(H)2	H(CCCH)	H(CCCH)	107.6137	0.335	6	107.6137	0.112	6	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CSnHN)(CCH)(H)2	H(CCCH)	H(CCCH)	C(CSnHN)(CCH)(H)2	H(CCCH)	H(CCCH)	108.5615	0.129	2	108.5615	0.017	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	C-4:	C-4:	C(CTeHH)(CNO)(H)2	H(CCCH)	H(CCCH)	C(CTeHH)(CNO)(H)2	H(CCCH)	H(CCCH)	107.9930	0.045	2	107.9930	0.002	2	107.7049	2.231	6612	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C[5]-3:H-1:H-1:	C-4:	C-4:	C(CC[6,6]HH)(C[5]C[5]2)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(CC[6,6]HH)(C[5]C[5]2)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7430	0.000	1	107.7430	0.000	1	107.7430	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(CB[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(CB[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7970	0.065	2	107.7970	0.004	2	107.8709	0.108	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(CB[6a]N[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(CB[6a]N[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.3020	0.000	1	108.3020	0.000	1	107.8709	0.108	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(CC[4,4,4x6]HH)(C[6a]C[6a]2)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(CC[4,4,4x6]HH)(C[6a]C[6a]2)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9690	0.000	1	107.9690	0.000	1	107.8709	0.108	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(CC[4x3,4x5,4x6]HH)(C[6a]C[6a]2)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(CC[4x3,4x5,4x6]HH)(C[6a]C[6a]2)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6475	0.127	2	107.6475	0.016	2	107.8709	0.108	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(CC[5,5,6]HH)(C[6a]C[6a]2)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(CC[5,5,6]HH)(C[6a]C[6a]2)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7890	0.000	1	107.7890	0.000	1	107.8709	0.108	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.7225	0.231	2	107.7225	0.053	2	107.8709	0.108	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	108.7410	0.000	1	108.7410	0.000	1	107.8709	0.108	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(CC[6a]C[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.9010	0.000	1	107.9010	0.000	1	107.8709	0.108	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]O)(C[6a]C[6a]2)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	C(CC[6a]C[6]O)(C[6a]C[6a]2)(H)2	H(CC[6a]CH)	H(CC[6a]CH)	107.6430	0.014	2	107.6430	0.000	2	107.8709	0.108	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:Ga-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(GaCC)(H)2	H(CGaCH)	H(CGaCH)	C(CCHH)(GaCC)(H)2	H(CGaCH)	H(CGaCH)	107.4810	0.000	1	107.4810	0.000	1	107.4810	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CB[5]CH)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CB[5]CH)(NCC)(H)2	H(CCHN)	H(CCHN)	107.4950	0.000	1	107.4950	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CBrCC)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CBrCC)(NCS)(H)2	H(CCHN)	H(CCHN)	107.8710	0.161	2	107.8710	0.026	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CBrCH)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CBrCH)(NCH)(H)2	H(CCHN)	H(CCHN)	107.9500	0.000	1	107.9500	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CBrHH)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CBrHH)(NCS)(H)2	H(CCHN)	H(CCHN)	108.3360	0.000	1	108.3360	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC3)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CC3)(NCC)(H)2	H(CCHN)	H(CCHN)	107.3353	1.348	7	107.3353	1.817	7	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC3)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CC3)(NCH)(H)2	H(CCHN)	H(CCHN)	107.5171	0.284	28	107.5171	0.080	28	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC3)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CC3)(NCS)(H)2	H(CCHN)	H(CCHN)	107.5860	0.123	4	107.5860	0.015	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC3)(NCV)(H)2	H(CCHN)	H(CCHN)	C(CC3)(NCV)(H)2	H(CCHN)	H(CCHN)	107.5060	0.164	2	107.5060	0.027	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC3)(NHH)(H)2	H(CCHN)	H(CCHN)	C(CC3)(NHH)(H)2	H(CCHN)	H(CCHN)	107.3930	0.000	1	107.3930	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC3)(NHN)(H)2	H(CCHN)	H(CCHN)	C(CC3)(NHN)(H)2	H(CCHN)	H(CCHN)	107.6320	0.000	1	107.6320	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC3)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CC3)(NHS)(H)2	H(CCHN)	H(CCHN)	108.0920	0.000	1	108.0920	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCH)(NAlC)(H)2	H(CCHN)	H(CCHN)	C(CCCH)(NAlC)(H)2	H(CCHN)	H(CCHN)	107.6618	0.210	5	107.6618	0.044	5	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCH)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CCCH)(NCC)(H)2	H(CCHN)	H(CCHN)	107.6406	0.280	49	107.6406	0.078	49	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCH)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CCCH)(NCH)(H)2	H(CCHN)	H(CCHN)	108.2102	1.376	21	108.2102	1.892	21	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCH)(NCN)(H)2	H(CCHN)	H(CCHN)	C(CCCH)(NCN)(H)2	H(CCHN)	H(CCHN)	107.7168	0.161	6	107.7168	0.026	6	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCH)(NCP)(H)2	H(CCHN)	H(CCHN)	C(CCCH)(NCP)(H)2	H(CCHN)	H(CCHN)	107.4691	0.548	27	107.4691	0.300	27	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCH)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CCCH)(NCS)(H)2	H(CCHN)	H(CCHN)	107.7634	0.178	5	107.7634	0.032	5	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCH)(NCuC)(H)2	H(CCHN)	H(CCHN)	C(CCCH)(NCuC)(H)2	H(CCHN)	H(CCHN)	107.7752	0.145	6	107.7752	0.021	6	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCH)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CCCH)(NHS)(H)2	H(CCHN)	H(CCHN)	107.9080	0.199	5	107.9080	0.040	5	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCH)(NNiC)(H)2	H(CCHN)	H(CCHN)	C(CCCH)(NNiC)(H)2	H(CCHN)	H(CCHN)	107.6700	0.000	1	107.6700	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCH)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CCCH)(NOO)(H)2	H(CCHN)	H(CCHN)	107.9959	0.542	23	107.9959	0.294	23	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCH)(NPS)(H)2	H(CCHN)	H(CCHN)	C(CCCH)(NPS)(H)2	H(CCHN)	H(CCHN)	107.2610	0.000	1	107.2610	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCH)(NPdC)(H)2	H(CCHN)	H(CCHN)	C(CCCH)(NPdC)(H)2	H(CCHN)	H(CCHN)	107.6985	0.029	4	107.6985	0.001	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCH)(NPtC)(H)2	H(CCHN)	H(CCHN)	C(CCCH)(NPtC)(H)2	H(CCHN)	H(CCHN)	107.7940	0.190	5	107.7940	0.036	5	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCH)(NSnC)(H)2	H(CCHN)	H(CCHN)	C(CCCH)(NSnC)(H)2	H(CCHN)	H(CCHN)	107.5180	0.180	2	107.5180	0.032	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCH)(NTcC)(H)2	H(CCHN)	H(CCHN)	C(CCCH)(NTcC)(H)2	H(CCHN)	H(CCHN)	106.8040	2.507	4	106.8040	6.284	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(NAlC)(H)2	H(CCHN)	H(CCHN)	C(CCCN)(NAlC)(H)2	H(CCHN)	H(CCHN)	108.3315	0.001	2	108.3315	0.000	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CCCN)(NCC)(H)2	H(CCHN)	H(CCHN)	110.0210	6.146	3	110.0210	37.769	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CCCN)(NCH)(H)2	H(CCHN)	H(CCHN)	107.7744	0.574	7	107.7744	0.330	7	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(NCV)(H)2	H(CCHN)	H(CCHN)	C(CCCN)(NCV)(H)2	H(CCHN)	H(CCHN)	108.2050	0.000	1	108.2050	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(NCoC)(H)2	H(CCHN)	H(CCHN)	C(CCCN)(NCoC)(H)2	H(CCHN)	H(CCHN)	112.6848	9.529	8	112.6848	90.798	8	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(NCuC)(H)2	H(CCHN)	H(CCHN)	C(CCCN)(NCuC)(H)2	H(CCHN)	H(CCHN)	107.5495	2.784	2	107.5495	7.750	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(NFeC)(H)2	H(CCHN)	H(CCHN)	C(CCCN)(NFeC)(H)2	H(CCHN)	H(CCHN)	102.4210	0.000	1	102.4210	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(NMnC)(H)2	H(CCHN)	H(CCHN)	C(CCCN)(NMnC)(H)2	H(CCHN)	H(CCHN)	108.5610	0.000	1	108.5610	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(NNiC)(H)2	H(CCHN)	H(CCHN)	C(CCCN)(NNiC)(H)2	H(CCHN)	H(CCHN)	108.5081	0.379	9	108.5081	0.144	9	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CCCN)(NOO)(H)2	H(CCHN)	H(CCHN)	107.6870	0.021	2	107.6870	0.000	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(NReC)(H)2	H(CCHN)	H(CCHN)	C(CCCN)(NReC)(H)2	H(CCHN)	H(CCHN)	108.1720	0.270	2	108.1720	0.073	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCO)(NAlC)(H)2	H(CCHN)	H(CCHN)	C(CCCO)(NAlC)(H)2	H(CCHN)	H(CCHN)	108.4935	0.132	2	108.4935	0.017	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCO)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CCCO)(NCC)(H)2	H(CCHN)	H(CCHN)	107.5184	0.353	28	107.5184	0.125	28	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCO)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CCCO)(NCH)(H)2	H(CCHN)	H(CCHN)	107.9820	0.213	5	107.9820	0.045	5	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCO)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CCCO)(NHS)(H)2	H(CCHN)	H(CCHN)	108.2980	0.000	1	108.2980	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCS)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CCCS)(NCC)(H)2	H(CCHN)	H(CCHN)	107.4407	0.063	6	107.4407	0.004	6	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCS)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CCCS)(NCH)(H)2	H(CCHN)	H(CCHN)	107.5790	0.083	2	107.5790	0.007	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCS)(NCoC)(H)2	H(CCHN)	H(CCHN)	C(CCCS)(NCoC)(H)2	H(CCHN)	H(CCHN)	108.4747	0.883	3	108.4747	0.779	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCCS)(NNiC)(H)2	H(CCHN)	H(CCHN)	C(CCCS)(NNiC)(H)2	H(CCHN)	H(CCHN)	108.2960	0.000	1	108.2960	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCFH)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CCFH)(NHS)(H)2	H(CCHN)	H(CCHN)	108.5590	0.000	1	108.5590	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NAlC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NAlC)(H)2	H(CCHN)	H(CCHN)	108.0311	0.290	9	108.0311	0.084	9	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NAuC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NAuC)(H)2	H(CCHN)	H(CCHN)	107.5990	0.275	9	107.5990	0.076	9	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NBC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NBC)(H)2	H(CCHN)	H(CCHN)	107.7390	0.000	1	107.7390	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NBeC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NBeC)(H)2	H(CCHN)	H(CCHN)	108.0860	0.000	1	108.0860	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NCC)(H)2	H(CCHN)	H(CCHN)	107.6366	0.929	525	107.6366	0.863	525	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NCH)(H)2	H(CCHN)	H(CCHN)	107.9317	1.391	687	107.9317	1.935	687	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NCN)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NCN)(H)2	H(CCHN)	H(CCHN)	107.5553	0.327	38	107.5553	0.107	38	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NCO)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NCO)(H)2	H(CCHN)	H(CCHN)	108.4213	0.792	8	108.4213	0.627	8	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NCP)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NCP)(H)2	H(CCHN)	H(CCHN)	107.7130	0.228	8	107.7130	0.052	8	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NCS)(H)2	H(CCHN)	H(CCHN)	107.7379	0.249	56	107.7379	0.062	56	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NCW)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NCW)(H)2	H(CCHN)	H(CCHN)	107.6955	0.283	4	107.6955	0.080	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NCY)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NCY)(H)2	H(CCHN)	H(CCHN)	103.6490	0.000	1	103.6490	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NCdC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NCdC)(H)2	H(CCHN)	H(CCHN)	107.8240	0.103	2	107.8240	0.011	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NClS)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NClS)(H)2	H(CCHN)	H(CCHN)	108.1370	0.000	1	108.1370	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NCoC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NCoC)(H)2	H(CCHN)	H(CCHN)	107.9895	0.459	112	107.9895	0.211	112	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NCoH)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NCoH)(H)2	H(CCHN)	H(CCHN)	107.3655	0.732	2	107.3655	0.536	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NCrC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NCrC)(H)2	H(CCHN)	H(CCHN)	107.8230	0.078	2	107.8230	0.006	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NCuC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NCuC)(H)2	H(CCHN)	H(CCHN)	107.8646	2.718	169	107.8646	7.390	169	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NCuN)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NCuN)(H)2	H(CCHN)	H(CCHN)	107.6845	0.032	2	107.6845	0.001	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NFeC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NFeC)(H)2	H(CCHN)	H(CCHN)	108.2301	1.122	132	108.2301	1.258	132	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NHH)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NHH)(H)2	H(CCHN)	H(CCHN)	107.7054	1.942	36	107.7054	3.773	36	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NHO)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NHO)(H)2	H(CCHN)	H(CCHN)	107.8510	0.000	1	107.8510	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NHP)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NHP)(H)2	H(CCHN)	H(CCHN)	107.8578	0.117	6	107.8578	0.014	6	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NHS)(H)2	H(CCHN)	H(CCHN)	107.9803	0.452	32	107.9803	0.204	32	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NHgC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NHgC)(H)2	H(CCHN)	H(CCHN)	107.9370	0.000	1	107.9370	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NIrC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NIrC)(H)2	H(CCHN)	H(CCHN)	108.0140	0.000	1	108.0140	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NIrH)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NIrH)(H)2	H(CCHN)	H(CCHN)	107.5990	0.000	1	107.5990	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NIrS)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NIrS)(H)2	H(CCHN)	H(CCHN)	109.4360	0.116	4	109.4360	0.013	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NMgC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NMgC)(H)2	H(CCHN)	H(CCHN)	108.0050	0.046	3	108.0050	0.002	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NMnC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NMnC)(H)2	H(CCHN)	H(CCHN)	108.1229	1.338	154	108.1229	1.791	154	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NMnH)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NMnH)(H)2	H(CCHN)	H(CCHN)	110.3750	0.000	1	110.3750	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NMoC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NMoC)(H)2	H(CCHN)	H(CCHN)	107.9632	0.130	13	107.9632	0.017	13	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NNiC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NNiC)(H)2	H(CCHN)	H(CCHN)	108.0921	1.555	183	108.0921	2.419	183	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NNiH)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NNiH)(H)2	H(CCHN)	H(CCHN)	108.7765	1.360	4	108.7765	1.850	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NNiP)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NNiP)(H)2	H(CCHN)	H(CCHN)	107.9860	0.000	1	107.9860	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NOS)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NOS)(H)2	H(CCHN)	H(CCHN)	108.2000	0.000	1	108.2000	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NOsC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NOsC)(H)2	H(CCHN)	H(CCHN)	107.7237	0.352	3	107.7237	0.124	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NOsH)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NOsH)(H)2	H(CCHN)	H(CCHN)	115.2410	0.000	1	115.2410	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NPP)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NPP)(H)2	H(CCHN)	H(CCHN)	107.7834	0.640	8	107.7834	0.410	8	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NPdC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NPdC)(H)2	H(CCHN)	H(CCHN)	107.8848	0.480	40	107.8848	0.230	40	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NPtC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NPtC)(H)2	H(CCHN)	H(CCHN)	108.0107	0.510	71	108.0107	0.260	71	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NReC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NReC)(H)2	H(CCHN)	H(CCHN)	107.8383	0.197	26	107.8383	0.039	26	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NRhC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NRhC)(H)2	H(CCHN)	H(CCHN)	105.7305	1.564	6	105.7305	2.446	6	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NRhS)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NRhS)(H)2	H(CCHN)	H(CCHN)	109.4200	0.000	1	109.4200	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NRuC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NRuC)(H)2	H(CCHN)	H(CCHN)	107.6010	0.247	5	107.6010	0.061	5	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NRuS)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NRuS)(H)2	H(CCHN)	H(CCHN)	109.3810	0.000	1	109.3810	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NSS)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NSS)(H)2	H(CCHN)	H(CCHN)	107.9164	0.253	5	107.9164	0.064	5	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NSiC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NSiC)(H)2	H(CCHN)	H(CCHN)	107.5800	0.167	2	107.5800	0.028	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NSmC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NSmC)(H)2	H(CCHN)	H(CCHN)	107.8950	0.048	2	107.8950	0.002	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NSnC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NSnC)(H)2	H(CCHN)	H(CCHN)	108.5540	1.286	2	108.5540	1.653	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NTiC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NTiC)(H)2	H(CCHN)	H(CCHN)	108.1038	0.883	4	108.1038	0.780	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NTiS)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NTiS)(H)2	H(CCHN)	H(CCHN)	107.9120	0.000	1	107.9120	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(NZnC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NZnC)(H)2	H(CCHN)	H(CCHN)	107.9475	1.262	67	107.9475	1.592	67	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHI)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CCHI)(NCS)(H)2	H(CCHN)	H(CCHN)	107.7334	0.080	7	107.7334	0.006	7	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CCHN)(NCC)(H)2	H(CCHN)	H(CCHN)	107.8263	0.982	28	107.8263	0.965	28	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CCHN)(NCH)(H)2	H(CCHN)	H(CCHN)	108.0180	1.112	48	108.0180	1.236	48	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CCHN)(NCS)(H)2	H(CCHN)	H(CCHN)	107.7190	0.146	2	107.7190	0.021	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(NCoC)(H)2	H(CCHN)	H(CCHN)	C(CCHN)(NCoC)(H)2	H(CCHN)	H(CCHN)	109.4210	0.000	1	109.4210	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(NFeC)(H)2	H(CCHN)	H(CCHN)	C(CCHN)(NFeC)(H)2	H(CCHN)	H(CCHN)	108.2292	0.121	6	108.2292	0.015	6	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(NHH)(H)2	H(CCHN)	H(CCHN)	C(CCHN)(NHH)(H)2	H(CCHN)	H(CCHN)	107.8280	0.025	2	107.8280	0.001	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(NHN)(H)2	H(CCHN)	H(CCHN)	C(CCHN)(NHN)(H)2	H(CCHN)	H(CCHN)	107.7780	0.129	2	107.7780	0.017	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(NMnC)(H)2	H(CCHN)	H(CCHN)	C(CCHN)(NMnC)(H)2	H(CCHN)	H(CCHN)	108.0948	0.277	4	108.0948	0.077	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(NNiC)(H)2	H(CCHN)	H(CCHN)	C(CCHN)(NNiC)(H)2	H(CCHN)	H(CCHN)	108.6502	0.205	4	108.6502	0.042	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(NPtC)(H)2	H(CCHN)	H(CCHN)	C(CCHN)(NPtC)(H)2	H(CCHN)	H(CCHN)	108.4840	0.000	1	108.4840	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHO)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CCHO)(NCC)(H)2	H(CCHN)	H(CCHN)	107.9709	0.932	34	107.9709	0.869	34	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHO)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CCHO)(NCH)(H)2	H(CCHN)	H(CCHN)	108.0430	1.063	40	108.0430	1.131	40	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHO)(NCN)(H)2	H(CCHN)	H(CCHN)	C(CCHO)(NCN)(H)2	H(CCHN)	H(CCHN)	107.6180	0.000	1	107.6180	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHO)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CCHO)(NCS)(H)2	H(CCHN)	H(CCHN)	107.7310	0.125	6	107.7310	0.016	6	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHO)(NCoC)(H)2	H(CCHN)	H(CCHN)	C(CCHO)(NCoC)(H)2	H(CCHN)	H(CCHN)	108.2152	0.338	4	108.2152	0.114	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHO)(NCuC)(H)2	H(CCHN)	H(CCHN)	C(CCHO)(NCuC)(H)2	H(CCHN)	H(CCHN)	108.3896	0.241	7	108.3896	0.058	7	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHO)(NFeC)(H)2	H(CCHN)	H(CCHN)	C(CCHO)(NFeC)(H)2	H(CCHN)	H(CCHN)	108.6306	1.538	11	108.6306	2.365	11	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHO)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CCHO)(NHS)(H)2	H(CCHN)	H(CCHN)	109.5120	0.000	1	109.5120	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHO)(NMnC)(H)2	H(CCHN)	H(CCHN)	C(CCHO)(NMnC)(H)2	H(CCHN)	H(CCHN)	107.8390	0.201	5	107.8390	0.040	5	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHO)(NMoC)(H)2	H(CCHN)	H(CCHN)	C(CCHO)(NMoC)(H)2	H(CCHN)	H(CCHN)	108.6460	0.013	2	108.6460	0.000	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHO)(NNiC)(H)2	H(CCHN)	H(CCHN)	C(CCHO)(NNiC)(H)2	H(CCHN)	H(CCHN)	107.9989	0.283	14	107.9989	0.080	14	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHS)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CCHS)(NCC)(H)2	H(CCHN)	H(CCHN)	107.9350	0.000	1	107.9350	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHS)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CCHS)(NHS)(H)2	H(CCHN)	H(CCHN)	107.8700	0.000	1	107.8700	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCHS)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CCHS)(NOO)(H)2	H(CCHN)	H(CCHN)	107.8070	0.000	1	107.8070	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCII)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CCII)(NCH)(H)2	H(CCHN)	H(CCHN)	107.8680	0.000	1	107.8680	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCNN)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CCNN)(NCC)(H)2	H(CCHN)	H(CCHN)	107.6653	0.136	3	107.6653	0.018	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[3,6]HH)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CC[3,6]HH)(NCS)(H)2	H(CCHN)	H(CCHN)	107.7530	0.000	1	107.7530	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[3]CC)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CC[3]CC)(NHS)(H)2	H(CCHN)	H(CCHN)	107.8390	0.000	1	107.8390	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[3x3,3x5,12x6]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CC[3x3,3x5,12x6]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	107.9685	0.028	2	107.9685	0.001	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[3x3,4,3x5,14x6]CH)(NZrN)(H)2	H(CCHN)	H(CCHN)	C(CC[3x3,4,3x5,14x6]CH)(NZrN)(H)2	H(CCHN)	H(CCHN)	108.4290	0.000	1	108.4290	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[3x3,4,3x5,14x6]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CC[3x3,4,3x5,14x6]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	107.9460	0.000	1	107.9460	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[4,5]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CC[4,5]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	107.4140	0.000	1	107.4140	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5,5]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CC[5,5]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	107.6040	0.000	1	107.6040	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5,6]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CC[5,6]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	103.8295	6.145	2	103.8295	37.766	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5,6]HH)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CC[5,6]HH)(NCH)(H)2	H(CCHN)	H(CCHN)	108.0755	0.086	2	108.0755	0.007	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5,6]HH)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CC[5,6]HH)(NCS)(H)2	H(CCHN)	H(CCHN)	108.0900	0.000	1	108.0900	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5,6]HO)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CC[5,6]HO)(NCC)(H)2	H(CCHN)	H(CCHN)	107.3710	0.346	4	107.3710	0.120	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5]2H)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[5]2H)(NOO)(H)2	H(CCHN)	H(CCHN)	108.3770	1.428	5	108.3770	2.039	5	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[5]CH)(NOO)(H)2	H(CCHN)	H(CCHN)	107.9511	0.347	7	107.9511	0.121	7	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5]CO)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[5]CO)(NOO)(H)2	H(CCHN)	H(CCHN)	108.1250	0.000	1	108.1250	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	108.0160	0.874	10	108.0160	0.763	10	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NCH)(H)2	H(CCHN)	H(CCHN)	108.0572	0.219	15	108.0572	0.048	15	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NCS)(H)2	H(CCHN)	H(CCHN)	107.8655	0.188	6	107.8655	0.035	6	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NC[6]S)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NC[6]S)(H)2	H(CCHN)	H(CCHN)	107.8835	0.064	2	107.8835	0.004	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NC[6a]C)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NC[6a]C)(H)2	H(CCHN)	H(CCHN)	107.8100	0.000	1	107.8100	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NCuC)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NCuC)(H)2	H(CCHN)	H(CCHN)	106.7302	3.636	8	106.7302	13.222	8	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NFeC)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NFeC)(H)2	H(CCHN)	H(CCHN)	109.1138	0.696	21	109.1138	0.485	21	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NIrS)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NIrS)(H)2	H(CCHN)	H(CCHN)	109.4625	0.080	2	109.4625	0.006	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NMnC)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NMnC)(H)2	H(CCHN)	H(CCHN)	108.2710	0.000	1	108.2710	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NNiC)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NNiC)(H)2	H(CCHN)	H(CCHN)	107.8015	0.117	2	107.8015	0.014	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NReC)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NReC)(H)2	H(CCHN)	H(CCHN)	108.1590	0.000	1	108.1590	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NRhS)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NRhS)(H)2	H(CCHN)	H(CCHN)	109.4290	0.000	1	109.4290	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NZnC)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NZnC)(H)2	H(CCHN)	H(CCHN)	108.1240	0.000	1	108.1240	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HI)(NC[6a]C)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HI)(NC[6a]C)(H)2	H(CCHN)	H(CCHN)	107.4970	0.426	2	107.4970	0.181	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HN)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HN)(NOO)(H)2	H(CCHN)	H(CCHN)	108.2030	0.000	1	108.2030	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HO)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HO)(NCC)(H)2	H(CCHN)	H(CCHN)	108.0040	0.163	2	108.0040	0.026	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HO)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HO)(NCH)(H)2	H(CCHN)	H(CCHN)	107.7660	0.000	1	107.7660	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5]N[5]H)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[5]N[5]H)(NOO)(H)2	H(CCHN)	H(CCHN)	108.5070	0.000	1	108.5070	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]2C)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]2C)(NOO)(H)2	H(CCHN)	H(CCHN)	107.6580	0.154	3	107.6580	0.024	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]CC)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]CC)(NCS)(H)2	H(CCHN)	H(CCHN)	107.5860	0.000	1	107.5860	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]CC)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]CC)(NOO)(H)2	H(CCHN)	H(CCHN)	107.6340	0.000	1	107.6340	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]CH)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]CH)(NOO)(H)2	H(CCHN)	H(CCHN)	109.8073	2.552	4	109.8073	6.515	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]CO)(NC[6a]C)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]CO)(NC[6a]C)(H)2	H(CCHN)	H(CCHN)	107.4310	0.000	1	107.4310	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[5]H)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]C[5]H)(NOO)(H)2	H(CCHN)	H(CCHN)	110.0430	2.536	4	110.0430	6.429	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6]H)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]C[6]H)(NOO)(H)2	H(CCHN)	H(CCHN)	108.1340	0.000	1	108.1340	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]C)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]C[6a]C)(NCC)(H)2	H(CCHN)	H(CCHN)	107.6190	0.000	1	107.6190	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]C)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]C[6a]C)(NCH)(H)2	H(CCHN)	H(CCHN)	107.7040	0.143	2	107.7040	0.020	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]C)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]C[6a]C)(NHS)(H)2	H(CCHN)	H(CCHN)	107.4680	0.112	2	107.4680	0.012	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]C)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]C[6a]C)(NOO)(H)2	H(CCHN)	H(CCHN)	107.7844	0.249	8	107.7844	0.062	8	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]H)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]C[6a]H)(NCS)(H)2	H(CCHN)	H(CCHN)	107.8635	0.093	2	107.8635	0.009	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]H)(NC[6a]C)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]C[6a]H)(NC[6a]C)(H)2	H(CCHN)	H(CCHN)	107.9540	0.000	1	107.9540	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]H)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]C[6a]H)(NOO)(H)2	H(CCHN)	H(CCHN)	108.0470	0.221	17	108.0470	0.049	17	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	107.8820	0.178	15	107.8820	0.032	15	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]HH)(NCH)(H)2	H(CCHN)	H(CCHN)	108.5300	2.400	29	108.5300	5.759	29	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]HH)(NCS)(H)2	H(CCHN)	H(CCHN)	107.8543	0.173	6	107.8543	0.030	6	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(NCV)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]HH)(NCV)(H)2	H(CCHN)	H(CCHN)	116.2640	0.000	1	116.2640	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(NC[5]H)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]HH)(NC[5]H)(H)2	H(CCHN)	H(CCHN)	107.2615	0.015	2	107.2615	0.000	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(NC[5a]S)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]HH)(NC[5a]S)(H)2	H(CCHN)	H(CCHN)	106.7750	0.000	1	106.7750	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(NC[6]H)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]HH)(NC[6]H)(H)2	H(CCHN)	H(CCHN)	108.0990	0.052	2	108.0990	0.003	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(NC[6a]C)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]HH)(NC[6a]C)(H)2	H(CCHN)	H(CCHN)	107.9170	0.089	2	107.9170	0.008	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(NCdC)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]HH)(NCdC)(H)2	H(CCHN)	H(CCHN)	107.9090	0.000	1	107.9090	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(NCuC)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]HH)(NCuC)(H)2	H(CCHN)	H(CCHN)	108.0380	0.000	1	108.0380	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(NFeC)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]HH)(NFeC)(H)2	H(CCHN)	H(CCHN)	111.7710	0.000	1	111.7710	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(NHH)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]HH)(NHH)(H)2	H(CCHN)	H(CCHN)	109.2210	0.000	1	109.2210	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(NNiC)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]HH)(NNiC)(H)2	H(CCHN)	H(CCHN)	107.6690	0.000	1	107.6690	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]HH)(NOO)(H)2	H(CCHN)	H(CCHN)	107.8700	0.000	1	107.8700	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(NPdC)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]HH)(NPdC)(H)2	H(CCHN)	H(CCHN)	107.9060	0.000	1	107.9060	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(NZnC)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]HH)(NZnC)(H)2	H(CCHN)	H(CCHN)	107.8870	0.000	1	107.8870	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HO)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]HO)(NCH)(H)2	H(CCHN)	H(CCHN)	109.4520	0.030	2	109.4520	0.001	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HO)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]HO)(NOO)(H)2	H(CCHN)	H(CCHN)	108.2375	0.329	2	108.2375	0.108	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HS)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]HS)(NCH)(H)2	H(CCHN)	H(CCHN)	109.4850	0.000	1	109.4850	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6,6]HH)(NC[6]C)(H)2	H(CCHN)	H(CCHN)	C(CC[6,6]HH)(NC[6]C)(H)2	H(CCHN)	H(CCHN)	107.4610	0.000	1	107.4610	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6,6]HH)(NC[6]O)(H)2	H(CCHN)	H(CCHN)	C(CC[6,6]HH)(NC[6]O)(H)2	H(CCHN)	H(CCHN)	107.3170	0.000	1	107.3170	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]CC)(NAlC)(H)2	H(CCHN)	H(CCHN)	C(CC[6]CC)(NAlC)(H)2	H(CCHN)	H(CCHN)	107.9083	0.186	6	107.9083	0.035	6	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]CC)(NCuC)(H)2	H(CCHN)	H(CCHN)	C(CC[6]CC)(NCuC)(H)2	H(CCHN)	H(CCHN)	107.4710	0.241	5	107.4710	0.058	5	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]CH)(NCaC)(H)2	H(CCHN)	H(CCHN)	C(CC[6]CH)(NCaC)(H)2	H(CCHN)	H(CCHN)	108.2700	0.041	4	108.2700	0.002	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]CH)(NHH)(H)2	H(CCHN)	H(CCHN)	C(CC[6]CH)(NHH)(H)2	H(CCHN)	H(CCHN)	107.8430	0.000	1	107.8430	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]CH)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[6]CH)(NOO)(H)2	H(CCHN)	H(CCHN)	108.4026	0.655	9	108.4026	0.429	9	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	108.7630	1.014	2	108.7630	1.028	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NCH)(H)2	H(CCHN)	H(CCHN)	107.9233	0.305	12	107.9233	0.093	12	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NCO)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NCO)(H)2	H(CCHN)	H(CCHN)	108.2090	0.194	2	108.2090	0.038	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NCS)(H)2	H(CCHN)	H(CCHN)	103.8820	0.000	1	103.8820	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NC[4]H)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NC[4]H)(H)2	H(CCHN)	H(CCHN)	108.1490	0.000	1	108.1490	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NC[5]Fe)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NC[5]Fe)(H)2	H(CCHN)	H(CCHN)	108.0105	0.129	2	108.0105	0.017	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NC[6]H)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NC[6]H)(H)2	H(CCHN)	H(CCHN)	107.5035	0.275	2	107.5035	0.076	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NC[6a]2)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NC[6a]2)(H)2	H(CCHN)	H(CCHN)	107.7270	0.000	1	107.7270	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NCaC)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NCaC)(H)2	H(CCHN)	H(CCHN)	108.4190	0.117	2	108.4190	0.014	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NCoC)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NCoC)(H)2	H(CCHN)	H(CCHN)	108.0532	0.274	10	108.0532	0.075	10	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NCuC)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NCuC)(H)2	H(CCHN)	H(CCHN)	107.9885	0.044	4	107.9885	0.002	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NCuN)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NCuN)(H)2	H(CCHN)	H(CCHN)	108.5350	0.000	1	108.5350	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NFeC)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NFeC)(H)2	H(CCHN)	H(CCHN)	108.1539	0.127	8	108.1539	0.016	8	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NIrS)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NIrS)(H)2	H(CCHN)	H(CCHN)	107.8800	0.007	2	107.8800	0.000	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NMgC)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NMgC)(H)2	H(CCHN)	H(CCHN)	108.2307	0.176	3	108.2307	0.031	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NMnC)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NMnC)(H)2	H(CCHN)	H(CCHN)	106.6720	2.394	3	106.6720	5.730	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NNiC)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NNiC)(H)2	H(CCHN)	H(CCHN)	107.8963	0.092	7	107.8963	0.008	7	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NReC)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NReC)(H)2	H(CCHN)	H(CCHN)	107.7290	0.000	1	107.7290	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NRhC)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NRhC)(H)2	H(CCHN)	H(CCHN)	109.4640	0.016	2	109.4640	0.000	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NRuS)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NRuS)(H)2	H(CCHN)	H(CCHN)	109.4370	0.000	1	109.4370	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NSrC)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NSrC)(H)2	H(CCHN)	H(CCHN)	108.2925	0.050	2	108.2925	0.003	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NZnC)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NZnC)(H)2	H(CCHN)	H(CCHN)	108.0725	0.052	2	108.0725	0.003	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HO)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HO)(NCC)(H)2	H(CCHN)	H(CCHN)	108.9790	0.000	1	108.9790	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HO)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HO)(NOO)(H)2	H(CCHN)	H(CCHN)	108.1230	0.000	1	108.1230	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6]OsH)(NOsC)(H)2	H(CCHN)	H(CCHN)	C(CC[6]OsH)(NOsC)(H)2	H(CCHN)	H(CCHN)	108.4460	0.000	1	108.4460	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]2C)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]2C)(NCC)(H)2	H(CCHN)	H(CCHN)	107.9750	0.000	1	107.9750	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]2H)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]2H)(NCH)(H)2	H(CCHN)	H(CCHN)	108.0330	0.221	3	108.0330	0.049	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]2H)(NCO)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]2H)(NCO)(H)2	H(CCHN)	H(CCHN)	108.0230	0.059	2	108.0230	0.004	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]2H)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]2H)(NCS)(H)2	H(CCHN)	H(CCHN)	107.8230	0.023	2	107.8230	0.001	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]2H)(NC[6a]C)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]2H)(NC[6a]C)(H)2	H(CCHN)	H(CCHN)	107.9760	0.000	1	107.9760	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]2H)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]2H)(NHS)(H)2	H(CCHN)	H(CCHN)	107.9920	0.309	4	107.9920	0.096	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]2H)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]2H)(NOO)(H)2	H(CCHN)	H(CCHN)	107.7652	0.576	4	107.7652	0.331	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]2O)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]2O)(NCC)(H)2	H(CCHN)	H(CCHN)	108.0330	0.199	2	108.0330	0.040	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]2O)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]2O)(NCH)(H)2	H(CCHN)	H(CCHN)	107.7435	0.409	2	107.7435	0.168	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CC)(NCC)(H)2	H(CCHN)	H(CCHN)	107.5665	0.221	2	107.5665	0.049	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CC)(NCH)(H)2	H(CCHN)	H(CCHN)	107.3270	0.000	1	107.3270	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CC)(NCS)(H)2	H(CCHN)	H(CCHN)	107.5460	0.000	1	107.5460	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(NCuC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CC)(NCuC)(H)2	H(CCHN)	H(CCHN)	107.5350	0.000	1	107.5350	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CC)(NOO)(H)2	H(CCHN)	H(CCHN)	107.8159	0.195	7	107.8159	0.038	7	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CH)(NCC)(H)2	H(CCHN)	H(CCHN)	107.6688	0.068	4	107.6688	0.005	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CH)(NCH)(H)2	H(CCHN)	H(CCHN)	108.6273	0.666	7	108.6273	0.443	7	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CH)(NCS)(H)2	H(CCHN)	H(CCHN)	107.4548	0.732	5	107.4548	0.536	5	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(NC[6a]2)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CH)(NC[6a]2)(H)2	H(CCHN)	H(CCHN)	109.0545	0.084	2	109.0545	0.007	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(NC[6a]C)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CH)(NC[6a]C)(H)2	H(CCHN)	H(CCHN)	107.5830	0.000	1	107.5830	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(NHN)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CH)(NHN)(H)2	H(CCHN)	H(CCHN)	108.3130	0.000	1	108.3130	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CH)(NHS)(H)2	H(CCHN)	H(CCHN)	108.0890	0.195	4	108.0890	0.038	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CH)(NOO)(H)2	H(CCHN)	H(CCHN)	108.1470	1.017	48	108.1470	1.033	48	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CN)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CN)(NCC)(H)2	H(CCHN)	H(CCHN)	107.6943	0.543	3	107.6943	0.295	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CN)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CN)(NCH)(H)2	H(CCHN)	H(CCHN)	107.9040	0.000	1	107.9040	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CN)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CN)(NOO)(H)2	H(CCHN)	H(CCHN)	107.8430	0.000	1	107.8430	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CO)(NCC)(H)2	H(CCHN)	H(CCHN)	107.1946	0.724	5	107.1946	0.524	5	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CO)(NCH)(H)2	H(CCHN)	H(CCHN)	106.9228	1.316	5	106.9228	1.733	5	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(NC[6a]H)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CO)(NC[6a]H)(H)2	H(CCHN)	H(CCHN)	108.0590	0.000	1	108.0590	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(NHH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CO)(NHH)(H)2	H(CCHN)	H(CCHN)	107.8690	0.000	1	107.8690	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CO)(NHS)(H)2	H(CCHN)	H(CCHN)	108.2460	0.000	1	108.2460	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CO)(NOO)(H)2	H(CCHN)	H(CCHN)	108.0220	0.000	1	108.0220	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CS)(NHH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CS)(NHH)(H)2	H(CCHN)	H(CCHN)	107.5350	0.000	1	107.5350	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CS)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CS)(NOO)(H)2	H(CCHN)	H(CCHN)	107.9370	0.000	1	107.9370	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[4]H)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]C[4]H)(NOO)(H)2	H(CCHN)	H(CCHN)	108.1800	0.000	1	108.1800	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5]C)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]C[5]C)(NHS)(H)2	H(CCHN)	H(CCHN)	107.9495	0.094	2	107.9495	0.009	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5]H)(NHH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]C[5]H)(NHH)(H)2	H(CCHN)	H(CCHN)	107.5860	0.000	1	107.5860	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5]H)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]C[5]H)(NOO)(H)2	H(CCHN)	H(CCHN)	108.0941	0.245	49	108.0941	0.060	49	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]H)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]C[6]H)(NCC)(H)2	H(CCHN)	H(CCHN)	106.4387	1.300	8	106.4387	1.690	8	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]H)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]C[6]H)(NHS)(H)2	H(CCHN)	H(CCHN)	108.1670	0.000	1	108.1670	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]H)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]C[6]H)(NOO)(H)2	H(CCHN)	H(CCHN)	108.6714	1.587	22	108.6714	2.519	22	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]ClH)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]ClH)(NHS)(H)2	H(CCHN)	H(CCHN)	108.0610	0.000	1	108.0610	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]FH)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]FH)(NHS)(H)2	H(CCHN)	H(CCHN)	108.0500	0.000	1	108.0500	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NB[5]2)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NB[5]2)(H)2	H(CCHN)	H(CCHN)	108.0000	0.000	1	108.0000	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	107.7289	0.690	36	107.7289	0.476	36	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NCH)(H)2	H(CCHN)	H(CCHN)	108.1414	1.165	86	108.1414	1.358	86	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NCO)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NCO)(H)2	H(CCHN)	H(CCHN)	108.8640	1.518	5	108.8640	2.305	5	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NCS)(H)2	H(CCHN)	H(CCHN)	107.7142	0.255	8	107.7142	0.065	8	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NC[3]C)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NC[3]C)(H)2	H(CCHN)	H(CCHN)	107.8770	0.000	2	107.8770	0.000	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NC[4a]H)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NC[4a]H)(H)2	H(CCHN)	H(CCHN)	107.9620	0.000	1	107.9620	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NC[5]C)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NC[5]C)(H)2	H(CCHN)	H(CCHN)	107.5620	0.000	1	107.5620	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NC[5a]C)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NC[5a]C)(H)2	H(CCHN)	H(CCHN)	110.0665	2.579	2	110.0665	6.650	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NC[5a]H)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NC[5a]H)(H)2	H(CCHN)	H(CCHN)	108.0810	0.000	1	108.0810	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NC[6]H)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NC[6]H)(H)2	H(CCHN)	H(CCHN)	108.0720	0.172	7	108.0720	0.030	7	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NC[6a]C)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NC[6a]C)(H)2	H(CCHN)	H(CCHN)	107.4670	0.000	1	107.4670	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NC[6a]H)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NC[6a]H)(H)2	H(CCHN)	H(CCHN)	107.8335	0.545	17	107.8335	0.297	17	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NC[6a]Pd)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NC[6a]Pd)(H)2	H(CCHN)	H(CCHN)	108.1250	0.000	1	108.1250	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NCoC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NCoC)(H)2	H(CCHN)	H(CCHN)	107.9147	0.278	3	107.9147	0.077	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NCu2)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NCu2)(H)2	H(CCHN)	H(CCHN)	107.2800	0.000	1	107.2800	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NCuC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NCuC)(H)2	H(CCHN)	H(CCHN)	108.6370	0.839	9	108.6370	0.704	9	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NHS)(H)2	H(CCHN)	H(CCHN)	107.9621	0.239	8	107.9621	0.057	8	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NIrC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NIrC)(H)2	H(CCHN)	H(CCHN)	108.1320	0.000	1	108.1320	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NMgC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NMgC)(H)2	H(CCHN)	H(CCHN)	107.8255	0.026	2	107.8255	0.001	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NMnC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NMnC)(H)2	H(CCHN)	H(CCHN)	107.5800	0.772	3	107.5800	0.596	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NNiC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NNiC)(H)2	H(CCHN)	H(CCHN)	107.8750	0.000	1	107.8750	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NOsC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NOsC)(H)2	H(CCHN)	H(CCHN)	107.9090	0.000	1	107.9090	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NPdC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NPdC)(H)2	H(CCHN)	H(CCHN)	108.1870	0.000	1	108.1870	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NPdH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NPdH)(H)2	H(CCHN)	H(CCHN)	108.0015	0.012	2	108.0015	0.000	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NRuN)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NRuN)(H)2	H(CCHN)	H(CCHN)	107.8285	0.169	4	107.8285	0.029	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NZnC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NZnC)(H)2	H(CCHN)	H(CCHN)	108.1095	0.030	2	108.1095	0.001	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HN)(NCC)(H)2	H(CCHN)	H(CCHN)	107.4630	0.000	1	107.4630	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(NC[6a]2)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HN)(NC[6a]2)(H)2	H(CCHN)	H(CCHN)	107.8220	0.000	1	107.8220	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(NC[6a]C)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HN)(NC[6a]C)(H)2	H(CCHN)	H(CCHN)	107.8260	0.000	1	107.8260	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HN)(NHS)(H)2	H(CCHN)	H(CCHN)	108.0560	0.000	1	108.0560	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HN)(NOO)(H)2	H(CCHN)	H(CCHN)	110.0915	3.611	2	110.0915	13.041	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HO)(NCC)(H)2	H(CCHN)	H(CCHN)	107.8005	0.314	10	107.8005	0.099	10	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HO)(NCH)(H)2	H(CCHN)	H(CCHN)	108.2130	0.806	8	108.2130	0.650	8	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HO)(NCS)(H)2	H(CCHN)	H(CCHN)	107.3190	0.000	1	107.3190	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(NC[6a]H)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HO)(NC[6a]H)(H)2	H(CCHN)	H(CCHN)	108.8100	1.928	2	108.8100	3.716	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(NC[6a]S)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HO)(NC[6a]S)(H)2	H(CCHN)	H(CCHN)	107.8305	0.296	2	107.8305	0.088	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(NHH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HO)(NHH)(H)2	H(CCHN)	H(CCHN)	108.1820	0.000	1	108.1820	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HO)(NHS)(H)2	H(CCHN)	H(CCHN)	108.1140	0.100	2	108.1140	0.010	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HO)(NOO)(H)2	H(CCHN)	H(CCHN)	109.8260	0.542	2	109.8260	0.293	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HP)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HP)(NOO)(H)2	H(CCHN)	H(CCHN)	108.1340	0.274	2	108.1340	0.075	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HS)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HS)(NOO)(H)2	H(CCHN)	H(CCHN)	108.1810	0.134	4	108.1810	0.018	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HS)(NSS)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HS)(NSS)(H)2	H(CCHN)	H(CCHN)	108.5770	0.000	1	108.5770	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]NP)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]NP)(NOO)(H)2	H(CCHN)	H(CCHN)	107.5500	0.000	1	107.5500	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[5]H)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]N[5]H)(NHS)(H)2	H(CCHN)	H(CCHN)	109.1650	0.000	1	109.1650	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]OO)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]OO)(NCH)(H)2	H(CCHN)	H(CCHN)	107.4740	0.000	1	107.4740	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]SiH)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]SiH)(NHS)(H)2	H(CCHN)	H(CCHN)	107.9960	0.000	1	107.9960	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCaOO)(NCuC)(H)2	H(CCHN)	H(CCHN)	C(CCaOO)(NCuC)(H)2	H(CCHN)	H(CCHN)	108.3165	0.165	2	108.3165	0.027	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCdOO)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CCdOO)(NCH)(H)2	H(CCHN)	H(CCHN)	107.7700	0.000	1	107.7700	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CClCC)(NCoC)(H)2	H(CCHN)	H(CCHN)	C(CClCC)(NCoC)(H)2	H(CCHN)	H(CCHN)	126.8430	0.000	1	126.8430	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CClCH)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CClCH)(NCC)(H)2	H(CCHN)	H(CCHN)	108.2090	0.000	1	108.2090	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CClCH)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CClCH)(NCH)(H)2	H(CCHN)	H(CCHN)	107.8992	0.207	4	107.8992	0.043	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CClHH)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CClHH)(NCC)(H)2	H(CCHN)	H(CCHN)	107.8607	0.306	10	107.8607	0.094	10	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CClHH)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CClHH)(NCH)(H)2	H(CCHN)	H(CCHN)	109.0175	2.811	6	109.0175	7.901	6	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CClHH)(NCN)(H)2	H(CCHN)	H(CCHN)	C(CClHH)(NCN)(H)2	H(CCHN)	H(CCHN)	107.8980	0.000	1	107.8980	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CClHH)(NCP)(H)2	H(CCHN)	H(CCHN)	C(CClHH)(NCP)(H)2	H(CCHN)	H(CCHN)	107.8265	0.245	2	107.8265	0.060	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CClHH)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CClHH)(NCS)(H)2	H(CCHN)	H(CCHN)	107.8702	0.193	4	107.8702	0.037	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CClHH)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CClHH)(NHS)(H)2	H(CCHN)	H(CCHN)	107.8160	0.000	1	107.8160	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CClHH)(NReC)(H)2	H(CCHN)	H(CCHN)	C(CClHH)(NReC)(H)2	H(CCHN)	H(CCHN)	108.1030	0.000	1	108.1030	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CCo2C)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CCo2C)(NCH)(H)2	H(CCHN)	H(CCHN)	108.1410	0.066	2	108.1410	0.004	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CF3)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CF3)(NCC)(H)2	H(CCHN)	H(CCHN)	108.0828	0.023	4	108.0828	0.001	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CF3)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CF3)(NCH)(H)2	H(CCHN)	H(CCHN)	109.3435	1.778	2	109.3435	3.163	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CFHH)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CFHH)(NCH)(H)2	H(CCHN)	H(CCHN)	106.5540	0.000	1	106.5540	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CFHH)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CFHH)(NHS)(H)2	H(CCHN)	H(CCHN)	107.8430	0.000	1	107.8430	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CFNN)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CFNN)(NCH)(H)2	H(CCHN)	H(CCHN)	108.4115	0.080	2	108.4115	0.006	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CH3)(NBC)(H)2	H(CCHN)	H(CCHN)	C(CH3)(NBC)(H)2	H(CCHN)	H(CCHN)	107.7163	0.175	17	107.7163	0.031	17	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CH3)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CH3)(NCC)(H)2	H(CCHN)	H(CCHN)	107.8268	0.764	1146	107.8268	0.584	1146	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CH3)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CH3)(NCH)(H)2	H(CCHN)	H(CCHN)	108.0503	1.101	235	108.0503	1.211	235	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CH3)(NCN)(H)2	H(CCHN)	H(CCHN)	C(CH3)(NCN)(H)2	H(CCHN)	H(CCHN)	108.3047	1.113	8	108.3047	1.238	8	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CH3)(NCO)(H)2	H(CCHN)	H(CCHN)	C(CH3)(NCO)(H)2	H(CCHN)	H(CCHN)	107.9865	0.112	4	107.9865	0.012	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CH3)(NCP)(H)2	H(CCHN)	H(CCHN)	C(CH3)(NCP)(H)2	H(CCHN)	H(CCHN)	107.7533	1.327	195	107.7533	1.761	195	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CH3)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CH3)(NCS)(H)2	H(CCHN)	H(CCHN)	106.9253	2.215	11	106.9253	4.904	11	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CH3)(NCW)(H)2	H(CCHN)	H(CCHN)	C(CH3)(NCW)(H)2	H(CCHN)	H(CCHN)	108.3665	5.902	2	108.3665	34.836	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CH3)(NHH)(H)2	H(CCHN)	H(CCHN)	C(CH3)(NHH)(H)2	H(CCHN)	H(CCHN)	107.6240	0.000	1	107.6240	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CH3)(NHP)(H)2	H(CCHN)	H(CCHN)	C(CH3)(NHP)(H)2	H(CCHN)	H(CCHN)	108.2950	0.692	4	108.2950	0.479	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CH3)(NNP)(H)2	H(CCHN)	H(CCHN)	C(CH3)(NNP)(H)2	H(CCHN)	H(CCHN)	107.5640	0.000	1	107.5640	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CH3)(NOO)(H)2	H(CCHN)	H(CCHN)	C(CH3)(NOO)(H)2	H(CCHN)	H(CCHN)	108.2930	0.000	1	108.2930	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CH3)(NPP)(H)2	H(CCHN)	H(CCHN)	C(CH3)(NPP)(H)2	H(CCHN)	H(CCHN)	107.6470	0.090	7	107.6470	0.008	7	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NAgC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NAgC)(H)2	H(CCHN)	H(CCHN)	107.8353	0.297	4	107.8353	0.088	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NAlC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NAlC)(H)2	H(CCHN)	H(CCHN)	108.4925	0.300	43	108.4925	0.090	43	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NBeC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NBeC)(H)2	H(CCHN)	H(CCHN)	107.6225	0.429	2	107.6225	0.184	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NBeH)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NBeH)(H)2	H(CCHN)	H(CCHN)	101.3910	0.000	1	101.3910	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NCC)(H)2	H(CCHN)	H(CCHN)	107.9191	1.171	1403	107.9191	1.372	1403	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NCH)(H)2	H(CCHN)	H(CCHN)	107.9690	1.154	712	107.9690	1.332	712	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NCN)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NCN)(H)2	H(CCHN)	H(CCHN)	107.6404	0.308	5	107.6404	0.095	5	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NCO)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NCO)(H)2	H(CCHN)	H(CCHN)	107.7740	0.000	1	107.7740	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NCP)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NCP)(H)2	H(CCHN)	H(CCHN)	107.9079	0.649	75	107.9079	0.421	75	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NCS)(H)2	H(CCHN)	H(CCHN)	108.2289	1.143	23	108.2289	1.307	23	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NCV)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NCV)(H)2	H(CCHN)	H(CCHN)	108.1320	0.000	1	108.1320	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NCW)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NCW)(H)2	H(CCHN)	H(CCHN)	108.3038	0.210	4	108.3038	0.044	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NCaC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NCaC)(H)2	H(CCHN)	H(CCHN)	108.3560	1.229	6	108.3560	1.512	6	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NCdC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NCdC)(H)2	H(CCHN)	H(CCHN)	108.2882	0.356	6	108.2882	0.127	6	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NCdH)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NCdH)(H)2	H(CCHN)	H(CCHN)	108.0930	0.128	3	108.0930	0.016	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NCoC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NCoC)(H)2	H(CCHN)	H(CCHN)	108.2153	1.903	163	108.2153	3.622	163	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NCoH)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NCoH)(H)2	H(CCHN)	H(CCHN)	109.1933	5.094	3	109.1933	25.945	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NCrC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NCrC)(H)2	H(CCHN)	H(CCHN)	108.3961	0.775	23	108.3961	0.600	23	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NCuC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NCuC)(H)2	H(CCHN)	H(CCHN)	108.4635	0.710	215	108.4635	0.504	215	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NCuH)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NCuH)(H)2	H(CCHN)	H(CCHN)	106.3376	2.159	5	106.3376	4.660	5	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NCuP)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NCuP)(H)2	H(CCHN)	H(CCHN)	108.3130	0.197	4	108.3130	0.039	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NEuC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NEuC)(H)2	H(CCHN)	H(CCHN)	108.5610	0.305	2	108.5610	0.093	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NFeC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NFeC)(H)2	H(CCHN)	H(CCHN)	108.3248	0.663	342	108.3248	0.439	342	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NFeP)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NFeP)(H)2	H(CCHN)	H(CCHN)	108.3550	0.081	8	108.3550	0.006	8	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NFeS)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NFeS)(H)2	H(CCHN)	H(CCHN)	108.4680	0.153	15	108.4680	0.024	15	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NGaS)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NGaS)(H)2	H(CCHN)	H(CCHN)	108.1510	0.000	1	108.1510	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NGeC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NGeC)(H)2	H(CCHN)	H(CCHN)	103.8163	3.849	3	103.8163	14.814	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NHH)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NHH)(H)2	H(CCHN)	H(CCHN)	107.7730	1.683	144	107.7730	2.832	144	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NHP)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NHP)(H)2	H(CCHN)	H(CCHN)	107.6621	0.267	46	107.6621	0.071	46	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NHS)(H)2	H(CCHN)	H(CCHN)	108.6009	0.733	15	108.6009	0.537	15	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NHgC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NHgC)(H)2	H(CCHN)	H(CCHN)	108.4445	1.392	4	108.4445	1.938	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NInS)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NInS)(H)2	H(CCHN)	H(CCHN)	109.4700	0.103	4	109.4700	0.011	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NIrC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NIrC)(H)2	H(CCHN)	H(CCHN)	108.1560	0.038	2	108.1560	0.001	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NIrS)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NIrS)(H)2	H(CCHN)	H(CCHN)	109.4950	0.151	2	109.4950	0.023	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NLiC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NLiC)(H)2	H(CCHN)	H(CCHN)	108.0029	0.565	14	108.0029	0.320	14	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NMgC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NMgC)(H)2	H(CCHN)	H(CCHN)	108.0124	1.789	20	108.0124	3.200	20	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NMgP)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NMgP)(H)2	H(CCHN)	H(CCHN)	108.3035	0.060	2	108.3035	0.004	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NMnC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NMnC)(H)2	H(CCHN)	H(CCHN)	108.4363	0.655	156	108.4363	0.428	156	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NMoC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NMoC)(H)2	H(CCHN)	H(CCHN)	108.3916	0.379	7	108.3916	0.143	7	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NNiC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NNiC)(H)2	H(CCHN)	H(CCHN)	108.4392	0.707	254	108.4392	0.500	254	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NNiH)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NNiH)(H)2	H(CCHN)	H(CCHN)	109.7087	2.099	3	109.7087	4.404	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NNiP)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NNiP)(H)2	H(CCHN)	H(CCHN)	108.5757	0.153	15	108.5757	0.023	15	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NOsC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NOsC)(H)2	H(CCHN)	H(CCHN)	108.5782	0.509	5	108.5782	0.259	5	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NPP)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NPP)(H)2	H(CCHN)	H(CCHN)	107.6180	0.000	1	107.6180	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NPdC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NPdC)(H)2	H(CCHN)	H(CCHN)	108.4140	3.201	36	108.4140	10.248	36	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NPdH)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NPdH)(H)2	H(CCHN)	H(CCHN)	108.3270	0.000	1	108.3270	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NPtC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NPtC)(H)2	H(CCHN)	H(CCHN)	108.7596	1.222	25	108.7596	1.493	25	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NPtD)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NPtD)(H)2	H(CCHN)	H(CCHN)	108.4575	0.052	2	108.4575	0.003	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NReC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NReC)(H)2	H(CCHN)	H(CCHN)	108.5444	0.536	24	108.5444	0.287	24	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NReH)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NReH)(H)2	H(CCHN)	H(CCHN)	108.2670	0.058	2	108.2670	0.003	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NRhC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NRhC)(H)2	H(CCHN)	H(CCHN)	108.0325	0.487	4	108.0325	0.237	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NRhH)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NRhH)(H)2	H(CCHN)	H(CCHN)	107.6970	0.000	1	107.6970	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NRhP)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NRhP)(H)2	H(CCHN)	H(CCHN)	108.4325	0.179	4	108.4325	0.032	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NRuC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NRuC)(H)2	H(CCHN)	H(CCHN)	108.3570	1.012	17	108.3570	1.024	17	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NRuH)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NRuH)(H)2	H(CCHN)	H(CCHN)	108.1895	0.446	2	108.1895	0.199	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NRuP)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NRuP)(H)2	H(CCHN)	H(CCHN)	108.3017	0.781	4	108.3017	0.611	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NRuS)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NRuS)(H)2	H(CCHN)	H(CCHN)	108.6085	0.480	2	108.6085	0.231	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NScC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NScC)(H)2	H(CCHN)	H(CCHN)	107.9605	0.428	2	107.9605	0.183	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NSi2)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NSi2)(H)2	H(CCHN)	H(CCHN)	107.9735	0.050	2	107.9735	0.003	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NSiC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NSiC)(H)2	H(CCHN)	H(CCHN)	107.6470	0.000	1	107.6470	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NSmC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NSmC)(H)2	H(CCHN)	H(CCHN)	108.4440	0.453	2	108.4440	0.205	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NSnC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NSnC)(H)2	H(CCHN)	H(CCHN)	109.1572	1.095	5	109.1572	1.200	5	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NSrP)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NSrP)(H)2	H(CCHN)	H(CCHN)	108.1960	0.000	1	108.1960	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NTiC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NTiC)(H)2	H(CCHN)	H(CCHN)	108.0543	0.468	3	108.0543	0.219	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(NZnC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NZnC)(H)2	H(CCHN)	H(CCHN)	108.2542	1.329	148	108.2542	1.767	148	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NCC)(H)2	H(CCHN)	H(CCHN)	107.9819	0.877	311	107.9819	0.768	311	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NCH)(H)2	H(CCHN)	H(CCHN)	108.3390	1.854	158	108.3390	3.439	158	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(NCN)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NCN)(H)2	H(CCHN)	H(CCHN)	107.7805	0.011	2	107.7805	0.000	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NCS)(H)2	H(CCHN)	H(CCHN)	107.8529	0.490	17	107.8529	0.240	17	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(NCdC)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NCdC)(H)2	H(CCHN)	H(CCHN)	107.8700	0.000	1	107.8700	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(NCoC)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NCoC)(H)2	H(CCHN)	H(CCHN)	108.1830	0.683	3	108.1830	0.466	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(NCuC)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NCuC)(H)2	H(CCHN)	H(CCHN)	108.0180	0.000	1	108.0180	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(NFeC)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NFeC)(H)2	H(CCHN)	H(CCHN)	108.4720	0.331	24	108.4720	0.109	24	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(NHH)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NHH)(H)2	H(CCHN)	H(CCHN)	108.1470	0.000	1	108.1470	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(NHP)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NHP)(H)2	H(CCHN)	H(CCHN)	107.9041	0.226	7	107.9041	0.051	7	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NHS)(H)2	H(CCHN)	H(CCHN)	107.8770	0.286	3	107.8770	0.082	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(NIrC)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NIrC)(H)2	H(CCHN)	H(CCHN)	107.8615	0.265	2	107.8615	0.070	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(NLiC)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NLiC)(H)2	H(CCHN)	H(CCHN)	109.6270	2.129	6	109.6270	4.534	6	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(NMnC)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NMnC)(H)2	H(CCHN)	H(CCHN)	108.3636	0.223	16	108.3636	0.050	16	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(NMoC)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NMoC)(H)2	H(CCHN)	H(CCHN)	108.7480	0.000	1	108.7480	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(NNiC)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NNiC)(H)2	H(CCHN)	H(CCHN)	108.1127	0.178	12	108.1127	0.032	12	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(NPP)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NPP)(H)2	H(CCHN)	H(CCHN)	107.4710	0.000	1	107.4710	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(NPdC)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NPdC)(H)2	H(CCHN)	H(CCHN)	107.9212	0.292	6	107.9212	0.085	6	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(NPtC)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NPtC)(H)2	H(CCHN)	H(CCHN)	109.2342	2.436	9	109.2342	5.934	9	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(NRhC)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NRhC)(H)2	H(CCHN)	H(CCHN)	108.0075	0.169	2	108.0075	0.029	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(NRuC)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NRuC)(H)2	H(CCHN)	H(CCHN)	108.0095	0.069	2	108.0095	0.005	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(NSnC)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NSnC)(H)2	H(CCHN)	H(CCHN)	108.9448	0.679	5	108.9448	0.461	5	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(NZnC)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NZnC)(H)2	H(CCHN)	H(CCHN)	107.8884	0.290	5	107.8884	0.084	5	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(NBC)(H)2	H(CCHN)	H(CCHN)	C(CHHP)(NBC)(H)2	H(CCHN)	H(CCHN)	107.8960	0.000	1	107.8960	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CHHP)(NCC)(H)2	H(CCHN)	H(CCHN)	107.6726	0.214	8	107.6726	0.046	8	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CHHP)(NCH)(H)2	H(CCHN)	H(CCHN)	107.9232	0.266	27	107.9232	0.071	27	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(NCoC)(H)2	H(CCHN)	H(CCHN)	C(CHHP)(NCoC)(H)2	H(CCHN)	H(CCHN)	108.0660	0.143	15	108.0660	0.020	15	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(NFeC)(H)2	H(CCHN)	H(CCHN)	C(CHHP)(NFeC)(H)2	H(CCHN)	H(CCHN)	107.5245	1.448	12	107.5245	2.098	12	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(NIrC)(H)2	H(CCHN)	H(CCHN)	C(CHHP)(NIrC)(H)2	H(CCHN)	H(CCHN)	107.9420	0.030	4	107.9420	0.001	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(NMnC)(H)2	H(CCHN)	H(CCHN)	C(CHHP)(NMnC)(H)2	H(CCHN)	H(CCHN)	107.9227	0.053	3	107.9227	0.003	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(NNiC)(H)2	H(CCHN)	H(CCHN)	C(CHHP)(NNiC)(H)2	H(CCHN)	H(CCHN)	108.1141	0.154	11	108.1141	0.024	11	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(NOsC)(H)2	H(CCHN)	H(CCHN)	C(CHHP)(NOsC)(H)2	H(CCHN)	H(CCHN)	107.9725	0.773	2	107.9725	0.597	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(NPdC)(H)2	H(CCHN)	H(CCHN)	C(CHHP)(NPdC)(H)2	H(CCHN)	H(CCHN)	108.2355	0.208	10	108.2355	0.043	10	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(NReC)(H)2	H(CCHN)	H(CCHN)	C(CHHP)(NReC)(H)2	H(CCHN)	H(CCHN)	107.7505	0.029	2	107.7505	0.001	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(NRuC)(H)2	H(CCHN)	H(CCHN)	C(CHHP)(NRuC)(H)2	H(CCHN)	H(CCHN)	107.5679	0.855	9	107.5679	0.730	9	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(NSiC)(H)2	H(CCHN)	H(CCHN)	C(CHHP)(NSiC)(H)2	H(CCHN)	H(CCHN)	107.7115	0.182	2	107.7115	0.033	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(NTcC)(H)2	H(CCHN)	H(CCHN)	C(CHHP)(NTcC)(H)2	H(CCHN)	H(CCHN)	108.1690	0.000	1	108.1690	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CHHS)(NCC)(H)2	H(CCHN)	H(CCHN)	107.7732	0.495	69	107.7732	0.245	69	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CHHS)(NCH)(H)2	H(CCHN)	H(CCHN)	108.0237	0.514	30	108.0237	0.264	30	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CHHS)(NCS)(H)2	H(CCHN)	H(CCHN)	107.7915	0.227	2	107.7915	0.052	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(NCuC)(H)2	H(CCHN)	H(CCHN)	C(CHHS)(NCuC)(H)2	H(CCHN)	H(CCHN)	108.6672	1.458	9	108.6672	2.127	9	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(NFeC)(H)2	H(CCHN)	H(CCHN)	C(CHHS)(NFeC)(H)2	H(CCHN)	H(CCHN)	108.2247	0.249	3	108.2247	0.062	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(NHH)(H)2	H(CCHN)	H(CCHN)	C(CHHS)(NHH)(H)2	H(CCHN)	H(CCHN)	108.4593	1.487	3	108.4593	2.212	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(NHP)(H)2	H(CCHN)	H(CCHN)	C(CHHS)(NHP)(H)2	H(CCHN)	H(CCHN)	107.7960	0.114	8	107.7960	0.013	8	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CHHS)(NHS)(H)2	H(CCHN)	H(CCHN)	108.0620	0.000	1	108.0620	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(NIrC)(H)2	H(CCHN)	H(CCHN)	C(CHHS)(NIrC)(H)2	H(CCHN)	H(CCHN)	108.2865	0.019	2	108.2865	0.000	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(NNiC)(H)2	H(CCHN)	H(CCHN)	C(CHHS)(NNiC)(H)2	H(CCHN)	H(CCHN)	108.2918	0.148	22	108.2918	0.022	22	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(NPP)(H)2	H(CCHN)	H(CCHN)	C(CHHS)(NPP)(H)2	H(CCHN)	H(CCHN)	107.9550	0.000	1	107.9550	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(NPdC)(H)2	H(CCHN)	H(CCHN)	C(CHHS)(NPdC)(H)2	H(CCHN)	H(CCHN)	108.1982	0.222	11	108.1982	0.049	11	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(NPdP)(H)2	H(CCHN)	H(CCHN)	C(CHHS)(NPdP)(H)2	H(CCHN)	H(CCHN)	108.4800	0.000	1	108.4800	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(NReC)(H)2	H(CCHN)	H(CCHN)	C(CHHS)(NReC)(H)2	H(CCHN)	H(CCHN)	112.4500	0.000	1	112.4500	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(NReH)(H)2	H(CCHN)	H(CCHN)	C(CHHS)(NReH)(H)2	H(CCHN)	H(CCHN)	96.8991	0.000	1	96.8991	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(NRhH)(H)2	H(CCHN)	H(CCHN)	C(CHHS)(NRhH)(H)2	H(CCHN)	H(CCHN)	107.4179	12.365	2	107.4179	152.882	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(NSS)(H)2	H(CCHN)	H(CCHN)	C(CHHS)(NSS)(H)2	H(CCHN)	H(CCHN)	106.4110	0.000	1	106.4110	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(NTiC)(H)2	H(CCHN)	H(CCHN)	C(CHHS)(NTiC)(H)2	H(CCHN)	H(CCHN)	108.2035	0.064	2	108.2035	0.004	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(NZnH)(H)2	H(CCHN)	H(CCHN)	C(CHHS)(NZnH)(H)2	H(CCHN)	H(CCHN)	108.0280	0.000	1	108.0280	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHNN)(NCN)(H)2	H(CCHN)	H(CCHN)	C(CHNN)(NCN)(H)2	H(CCHN)	H(CCHN)	107.5820	0.000	1	107.5820	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHOO)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CHOO)(NCC)(H)2	H(CCHN)	H(CCHN)	107.9265	0.383	2	107.9265	0.146	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHOO)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CHOO)(NCH)(H)2	H(CCHN)	H(CCHN)	107.9710	0.077	6	107.9710	0.006	6	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHOO)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CHOO)(NCS)(H)2	H(CCHN)	H(CCHN)	107.4610	0.000	1	107.4610	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CHOO)(NHP)(H)2	H(CCHN)	H(CCHN)	C(CHOO)(NHP)(H)2	H(CCHN)	H(CCHN)	108.0000	0.000	2	108.0000	0.000	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CMnCH)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CMnCH)(NCC)(H)2	H(CCHN)	H(CCHN)	107.4200	0.051	2	107.4200	0.003	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CMo2C)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CMo2C)(NCC)(H)2	H(CCHN)	H(CCHN)	107.5000	0.000	1	107.5000	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN3)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CN3)(NCH)(H)2	H(CCHN)	H(CCHN)	108.0618	0.118	4	108.0618	0.014	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[4]HH)(NCuC)(H)2	H(CCHN)	H(CCHN)	C(CN[4]HH)(NCuC)(H)2	H(CCHN)	H(CCHN)	108.4460	0.000	1	108.4460	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[4]HH)(NNiC)(H)2	H(CCHN)	H(CCHN)	C(CN[4]HH)(NNiC)(H)2	H(CCHN)	H(CCHN)	103.7280	0.000	1	103.7280	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5,5]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CN[5,5]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	108.1180	0.311	5	108.1180	0.097	5	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5]2H)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CN[5]2H)(NCH)(H)2	H(CCHN)	H(CCHN)	108.1080	0.048	2	108.1080	0.002	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5]2H)(NMnC)(H)2	H(CCHN)	H(CCHN)	C(CN[5]2H)(NMnC)(H)2	H(CCHN)	H(CCHN)	107.6300	0.000	1	107.6300	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5]CC)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CN[5]CC)(NCC)(H)2	H(CCHN)	H(CCHN)	104.2725	1.128	2	104.2725	1.272	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5]CH)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CN[5]CH)(NCH)(H)2	H(CCHN)	H(CCHN)	108.4430	0.000	1	108.4430	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NAlC)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NAlC)(H)2	H(CCHN)	H(CCHN)	107.6510	0.000	1	107.6510	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	107.8042	0.293	53	107.8042	0.086	53	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NCH)(H)2	H(CCHN)	H(CCHN)	107.9629	0.217	42	107.9629	0.047	42	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NCS)(H)2	H(CCHN)	H(CCHN)	107.8168	0.186	13	107.8168	0.034	13	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NC[5]C)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NC[5]C)(H)2	H(CCHN)	H(CCHN)	108.0120	0.000	1	108.0120	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NC[5]H)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NC[5]H)(H)2	H(CCHN)	H(CCHN)	107.6260	0.000	1	107.6260	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NC[6]Ta)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NC[6]Ta)(H)2	H(CCHN)	H(CCHN)	107.6840	0.000	1	107.6840	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NC[6a]C)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NC[6a]C)(H)2	H(CCHN)	H(CCHN)	107.9310	0.000	1	107.9310	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NC[6a]H)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NC[6a]H)(H)2	H(CCHN)	H(CCHN)	108.1257	0.293	4	108.1257	0.086	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NCdC)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NCdC)(H)2	H(CCHN)	H(CCHN)	108.2850	0.000	1	108.2850	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NCuC)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NCuC)(H)2	H(CCHN)	H(CCHN)	108.5002	0.252	8	108.5002	0.064	8	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NFeC)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NFeC)(H)2	H(CCHN)	H(CCHN)	108.2795	0.476	2	108.2795	0.226	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NHH)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NHH)(H)2	H(CCHN)	H(CCHN)	108.7170	1.555	4	108.7170	2.418	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NMgC)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NMgC)(H)2	H(CCHN)	H(CCHN)	108.4690	0.000	1	108.4690	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NMnC)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NMnC)(H)2	H(CCHN)	H(CCHN)	108.3548	0.120	5	108.3548	0.014	5	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NNiC)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NNiC)(H)2	H(CCHN)	H(CCHN)	108.3711	0.095	11	108.3711	0.009	11	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NReC)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NReC)(H)2	H(CCHN)	H(CCHN)	111.7365	1.611	2	111.7365	2.597	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NRuC)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NRuC)(H)2	H(CCHN)	H(CCHN)	108.1650	0.000	1	108.1650	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NZnC)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NZnC)(H)2	H(CCHN)	H(CCHN)	108.3598	0.179	10	108.3598	0.032	10	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5a]CC)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CN[5a]CC)(NCH)(H)2	H(CCHN)	H(CCHN)	107.7990	0.043	5	107.7990	0.002	5	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(NAlC)(H)2	H(CCHN)	H(CCHN)	C(CN[5a]HH)(NAlC)(H)2	H(CCHN)	H(CCHN)	107.6770	0.000	1	107.6770	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CN[5a]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	107.9090	0.158	9	107.9090	0.025	9	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CN[5a]HH)(NCH)(H)2	H(CCHN)	H(CCHN)	107.5758	0.754	5	107.5758	0.568	5	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CN[5a]HH)(NCS)(H)2	H(CCHN)	H(CCHN)	107.9240	0.073	3	107.9240	0.005	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(NC[6a]H)(H)2	H(CCHN)	H(CCHN)	C(CN[5a]HH)(NC[6a]H)(H)2	H(CCHN)	H(CCHN)	108.2070	0.000	1	108.2070	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(NCdC)(H)2	H(CCHN)	H(CCHN)	C(CN[5a]HH)(NCdC)(H)2	H(CCHN)	H(CCHN)	108.0173	0.240	3	108.0173	0.057	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(NCoC)(H)2	H(CCHN)	H(CCHN)	C(CN[5a]HH)(NCoC)(H)2	H(CCHN)	H(CCHN)	108.0500	0.000	1	108.0500	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[6]CC)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CN[6]CC)(NCC)(H)2	H(CCHN)	H(CCHN)	105.1415	0.797	2	105.1415	0.635	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	107.9226	0.424	20	107.9226	0.180	20	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NCH)(H)2	H(CCHN)	H(CCHN)	107.9513	0.217	16	107.9513	0.047	16	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NC[5]Fe)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NC[5]Fe)(H)2	H(CCHN)	H(CCHN)	108.3685	0.053	2	108.3685	0.003	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NC[5]H)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NC[5]H)(H)2	H(CCHN)	H(CCHN)	108.6320	0.000	1	108.6320	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NC[6a]H)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NC[6a]H)(H)2	H(CCHN)	H(CCHN)	108.3493	0.102	3	108.3493	0.010	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NC[6a]N)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NC[6a]N)(H)2	H(CCHN)	H(CCHN)	108.0830	0.000	1	108.0830	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NCdC)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NCdC)(H)2	H(CCHN)	H(CCHN)	108.3615	0.058	4	108.3615	0.003	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NCoC)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NCoC)(H)2	H(CCHN)	H(CCHN)	108.4100	0.000	1	108.4100	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NCuC)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NCuC)(H)2	H(CCHN)	H(CCHN)	108.7850	0.786	7	108.7850	0.618	7	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NFeC)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NFeC)(H)2	H(CCHN)	H(CCHN)	108.3423	0.371	3	108.3423	0.138	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NHH)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NHH)(H)2	H(CCHN)	H(CCHN)	108.1270	0.064	2	108.1270	0.004	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NHN)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NHN)(H)2	H(CCHN)	H(CCHN)	108.0740	0.000	1	108.0740	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NHS)(H)2	H(CCHN)	H(CCHN)	108.0870	0.000	1	108.0870	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NMnC)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NMnC)(H)2	H(CCHN)	H(CCHN)	108.2364	0.217	5	108.2364	0.047	5	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NNiC)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NNiC)(H)2	H(CCHN)	H(CCHN)	108.3677	0.198	23	108.3677	0.039	23	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NZnC)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NZnC)(H)2	H(CCHN)	H(CCHN)	108.3483	0.194	10	108.3483	0.038	10	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[6a]HH)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CN[6a]HH)(NCH)(H)2	H(CCHN)	H(CCHN)	107.7657	0.104	4	107.7657	0.011	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[6a]HH)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CN[6a]HH)(NCS)(H)2	H(CCHN)	H(CCHN)	107.7623	0.203	3	107.7623	0.041	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[6a]HH)(NHH)(H)2	H(CCHN)	H(CCHN)	C(CN[6a]HH)(NHH)(H)2	H(CCHN)	H(CCHN)	107.9920	0.000	1	107.9920	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CN[6a]HH)(NHS)(H)2	H(CCHN)	H(CCHN)	C(CN[6a]HH)(NHS)(H)2	H(CCHN)	H(CCHN)	108.0850	0.000	1	108.0850	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CNiCH)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CNiCH)(NCC)(H)2	H(CCHN)	H(CCHN)	107.7845	0.118	4	107.7845	0.014	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CNiCH)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CNiCH)(NCS)(H)2	H(CCHN)	H(CCHN)	107.5210	0.000	1	107.5210	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CNiCH)(NHP)(H)2	H(CCHN)	H(CCHN)	C(CNiCH)(NHP)(H)2	H(CCHN)	H(CCHN)	107.8280	0.127	2	107.8280	0.016	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CNiHH)(NHP)(H)2	H(CCHN)	H(CCHN)	C(CNiHH)(NHP)(H)2	H(CCHN)	H(CCHN)	108.3685	0.197	2	108.3685	0.039	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CO[4]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CO[4]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	107.8450	1.456	4	107.8450	2.119	4	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CO[4]HH)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CO[4]HH)(NCH)(H)2	H(CCHN)	H(CCHN)	108.0850	0.000	1	108.0850	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CPdCH)(NHP)(H)2	H(CCHN)	H(CCHN)	C(CPdCH)(NHP)(H)2	H(CCHN)	H(CCHN)	107.4845	0.036	2	107.4845	0.001	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CPtCC)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CPtCC)(NCS)(H)2	H(CCHN)	H(CCHN)	109.2460	0.359	2	109.2460	0.129	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CPtCH)(NCS)(H)2	H(CCHN)	H(CCHN)	C(CPtCH)(NCS)(H)2	H(CCHN)	H(CCHN)	108.5797	0.865	3	108.5797	0.749	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CRhHH)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CRhHH)(NCC)(H)2	H(CCHN)	H(CCHN)	107.3890	0.000	1	107.3890	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CRuCH)(NHP)(H)2	H(CCHN)	H(CCHN)	C(CRuCH)(NHP)(H)2	H(CCHN)	H(CCHN)	108.2040	0.035	2	108.2040	0.001	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CS[6]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CS[6]HH)(NCC)(H)2	H(CCHN)	H(CCHN)	107.3800	0.000	1	107.3800	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CSeHH)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CSeHH)(NCC)(H)2	H(CCHN)	H(CCHN)	107.7718	0.238	12	107.7718	0.056	12	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CSeHH)(NIrC)(H)2	H(CCHN)	H(CCHN)	C(CSeHH)(NIrC)(H)2	H(CCHN)	H(CCHN)	108.2175	0.046	2	108.2175	0.002	2	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CSeHH)(NPdC)(H)2	H(CCHN)	H(CCHN)	C(CSeHH)(NPdC)(H)2	H(CCHN)	H(CCHN)	107.8910	0.097	3	107.8910	0.009	3	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CSiHH)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CSiHH)(NCH)(H)2	H(CCHN)	H(CCHN)	107.7880	0.000	1	107.7880	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CSmOO)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CSmOO)(NCH)(H)2	H(CCHN)	H(CCHN)	114.9860	0.000	1	114.9860	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	C-4:	C-4:	C(CTbOO)(NCH)(H)2	H(CCHN)	H(CCHN)	C(CTbOO)(NCH)(H)2	H(CCHN)	H(CCHN)	110.0230	0.000	1	110.0230	0.000	1	108.0034	1.476	10768	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.6870	2.039	3	108.6870	4.159	3	108.7379	3.537	10	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(CC[3x3,4,3x5,14x6]HH)(N[5]C[5]2)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(CC[3x3,4,3x5,14x6]HH)(N[5]C[5]2)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9370	0.000	1	107.9370	0.000	1	108.7379	3.537	10	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(CC[5,6,6]HH)(N[5]C[5]2)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(CC[5,6,6]HH)(N[5]C[5]2)(H)2	H(CN[5]CH)	H(CN[5]CH)	110.4725	3.860	2	110.4725	14.900	2	108.7379	3.537	10	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(CC[5,6]HH)(N[5]C[5]2)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(CC[5,6]HH)(N[5]C[5]2)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6680	0.000	1	107.6680	0.000	1	108.7379	3.537	10	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.2560	0.234	3	108.2560	0.055	3	108.7379	3.537	10	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:N[6]-3:H-1:H-1:	C-4:	C-4:	C(CC[5,6]HH)(N[6]C[6]2)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(CC[5,6]HH)(N[6]C[6]2)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.5277	0.840	3	107.5277	0.705	3	107.5277	0.705	3	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CC3)(OVV)(H)2	H(CCHO)	H(CCHO)	C(CC3)(OVV)(H)2	H(CCHO)	H(CCHO)	107.9420	0.117	2	107.9420	0.014	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(OCo2)(H)2	H(CCHO)	H(CCHO)	C(CCCN)(OCo2)(H)2	H(CCHO)	H(CCHO)	108.0417	0.027	3	108.0417	0.001	3	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(OCoH)(H)2	H(CCHO)	H(CCHO)	C(CCCN)(OCoH)(H)2	H(CCHO)	H(CCHO)	108.1900	0.004	2	108.1900	0.000	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(OCu2)(H)2	H(CCHO)	H(CCHO)	C(CCCN)(OCu2)(H)2	H(CCHO)	H(CCHO)	108.1390	0.156	2	108.1390	0.024	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(OCuH)(H)2	H(CCHO)	H(CCHO)	C(CCCN)(OCuH)(H)2	H(CCHO)	H(CCHO)	108.3910	0.160	3	108.3910	0.025	3	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(OFe2)(H)2	H(CCHO)	H(CCHO)	C(CCCN)(OFe2)(H)2	H(CCHO)	H(CCHO)	107.7327	0.143	4	107.7327	0.020	4	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(OFeH)(H)2	H(CCHO)	H(CCHO)	C(CCCN)(OFeH)(H)2	H(CCHO)	H(CCHO)	108.4090	0.000	1	108.4090	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(OMnH)(H)2	H(CCHO)	H(CCHO)	C(CCCN)(OMnH)(H)2	H(CCHO)	H(CCHO)	108.1235	0.250	2	108.1235	0.062	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(OMo2)(H)2	H(CCHO)	H(CCHO)	C(CCCN)(OMo2)(H)2	H(CCHO)	H(CCHO)	107.6180	0.187	2	107.6180	0.035	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(ONiH)(H)2	H(CCHO)	H(CCHO)	C(CCCN)(ONiH)(H)2	H(CCHO)	H(CCHO)	108.0546	0.244	24	108.0546	0.060	24	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(OSn2)(H)2	H(CCHO)	H(CCHO)	C(CCCN)(OSn2)(H)2	H(CCHO)	H(CCHO)	108.2402	0.361	5	108.2402	0.131	5	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCCN)(OZnH)(H)2	H(CCHO)	H(CCHO)	C(CCCN)(OZnH)(H)2	H(CCHO)	H(CCHO)	107.9920	0.209	4	107.9920	0.044	4	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCCO)(OLiC)(H)2	H(CCHO)	H(CCHO)	C(CCCO)(OLiC)(H)2	H(CCHO)	H(CCHO)	108.3260	0.000	1	108.3260	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(OAl2)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OAl2)(H)2	H(CCHO)	H(CCHO)	107.6190	0.000	1	107.6190	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(OBeC)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OBeC)(H)2	H(CCHO)	H(CCHO)	110.2030	2.384	2	110.2030	5.685	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(OCoH)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OCoH)(H)2	H(CCHO)	H(CCHO)	106.8995	0.610	2	106.8995	0.372	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(OCu2)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OCu2)(H)2	H(CCHO)	H(CCHO)	107.9170	0.000	1	107.9170	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(OCuH)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OCuH)(H)2	H(CCHO)	H(CCHO)	108.4200	0.003	2	108.4200	0.000	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(OFe2)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OFe2)(H)2	H(CCHO)	H(CCHO)	107.6828	0.305	5	107.6828	0.093	5	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(OFeC)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OFeC)(H)2	H(CCHO)	H(CCHO)	108.0510	0.076	2	108.0510	0.006	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(OMg2)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OMg2)(H)2	H(CCHO)	H(CCHO)	107.5805	0.441	2	107.5805	0.194	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(OMgC)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OMgC)(H)2	H(CCHO)	H(CCHO)	108.0707	0.068	3	108.0707	0.005	3	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(OMn2)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OMn2)(H)2	H(CCHO)	H(CCHO)	107.9730	0.143	2	107.9730	0.020	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(OMnH)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OMnH)(H)2	H(CCHO)	H(CCHO)	107.1990	0.000	1	107.1990	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(OMo2)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OMo2)(H)2	H(CCHO)	H(CCHO)	107.7050	0.000	1	107.7050	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(ONi2)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(ONi2)(H)2	H(CCHO)	H(CCHO)	107.9710	0.078	2	107.9710	0.006	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(ONiC)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(ONiC)(H)2	H(CCHO)	H(CCHO)	107.9540	0.000	1	107.9540	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(ONiH)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(ONiH)(H)2	H(CCHO)	H(CCHO)	108.2120	0.014	2	108.2120	0.000	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(ORu2)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(ORu2)(H)2	H(CCHO)	H(CCHO)	108.0350	2.018	2	108.0350	4.073	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(OSn2)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OSn2)(H)2	H(CCHO)	H(CCHO)	109.4600	0.000	1	109.4600	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(OVV)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OVV)(H)2	H(CCHO)	H(CCHO)	107.9610	0.000	1	107.9610	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(OAl2)(H)2	H(CCHO)	H(CCHO)	C(CCHN)(OAl2)(H)2	H(CCHO)	H(CCHO)	108.3640	0.000	1	108.3640	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(OFe2)(H)2	H(CCHO)	H(CCHO)	C(CCHN)(OFe2)(H)2	H(CCHO)	H(CCHO)	108.4257	0.120	11	108.4257	0.014	11	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(OFeH)(H)2	H(CCHO)	H(CCHO)	C(CCHN)(OFeH)(H)2	H(CCHO)	H(CCHO)	108.3745	0.018	2	108.3745	0.000	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CCHO)(OAl2)(H)2	H(CCHO)	H(CCHO)	C(CCHO)(OAl2)(H)2	H(CCHO)	H(CCHO)	108.5147	0.048	3	108.5147	0.002	3	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CC[3x3,3x5,12x6]HH)(OTaC)(H)2	H(CCHO)	H(CCHO)	C(CC[3x3,3x5,12x6]HH)(OTaC)(H)2	H(CCHO)	H(CCHO)	108.3380	0.000	1	108.3380	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(OEuC)(H)2	H(CCHO)	H(CCHO)	C(CC[5]HH)(OEuC)(H)2	H(CCHO)	H(CCHO)	107.0255	0.848	4	107.0255	0.719	4	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(OTiC)(H)2	H(CCHO)	H(CCHO)	C(CC[5]HH)(OTiC)(H)2	H(CCHO)	H(CCHO)	108.6275	0.081	2	108.6275	0.007	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(OZrC)(H)2	H(CCHO)	H(CCHO)	C(CC[5]HH)(OZrC)(H)2	H(CCHO)	H(CCHO)	107.9380	0.000	1	107.9380	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HO)(OCoC)(H)2	H(CCHO)	H(CCHO)	C(CC[5]HO)(OCoC)(H)2	H(CCHO)	H(CCHO)	108.6125	0.009	2	108.6125	0.000	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(OCdH)(H)2	H(CCHO)	H(CCHO)	C(CC[6]HH)(OCdH)(H)2	H(CCHO)	H(CCHO)	107.9180	0.000	1	107.9180	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(OCoH)(H)2	H(CCHO)	H(CCHO)	C(CC[6]HH)(OCoH)(H)2	H(CCHO)	H(CCHO)	108.1858	0.122	5	108.1858	0.015	5	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(OCr2)(H)2	H(CCHO)	H(CCHO)	C(CC[6]HH)(OCr2)(H)2	H(CCHO)	H(CCHO)	108.0030	0.000	1	108.0030	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(OCu2)(H)2	H(CCHO)	H(CCHO)	C(CC[6]HH)(OCu2)(H)2	H(CCHO)	H(CCHO)	108.2730	0.000	1	108.2730	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(OCuH)(H)2	H(CCHO)	H(CCHO)	C(CC[6]HH)(OCuH)(H)2	H(CCHO)	H(CCHO)	108.2605	0.018	2	108.2605	0.000	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(OFe2)(H)2	H(CCHO)	H(CCHO)	C(CC[6]HH)(OFe2)(H)2	H(CCHO)	H(CCHO)	107.8630	0.000	1	107.8630	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(OMnH)(H)2	H(CCHO)	H(CCHO)	C(CC[6]HH)(OMnH)(H)2	H(CCHO)	H(CCHO)	108.1570	0.000	1	108.1570	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(ONi2)(H)2	H(CCHO)	H(CCHO)	C(CC[6]HH)(ONi2)(H)2	H(CCHO)	H(CCHO)	107.9260	0.027	2	107.9260	0.001	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(ONiH)(H)2	H(CCHO)	H(CCHO)	C(CC[6]HH)(ONiH)(H)2	H(CCHO)	H(CCHO)	108.0916	0.151	7	108.0916	0.023	7	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(ORu2)(H)2	H(CCHO)	H(CCHO)	C(CC[6]HH)(ORu2)(H)2	H(CCHO)	H(CCHO)	108.0220	0.040	2	108.0220	0.002	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(OCrFe)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]CC)(OCrFe)(H)2	H(CCHO)	H(CCHO)	107.7397	0.075	3	107.7397	0.006	3	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(OFe2)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]CC)(OFe2)(H)2	H(CCHO)	H(CCHO)	107.6585	0.052	2	107.6585	0.003	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(OCrC)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]HH)(OCrC)(H)2	H(CCHO)	H(CCHO)	108.0727	0.048	3	108.0727	0.002	3	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(OCo2)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]HN)(OCo2)(H)2	H(CCHO)	H(CCHO)	108.2475	0.115	22	108.2475	0.013	22	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(OFe2)(H)2	H(CCHO)	H(CCHO)	C(CC[6a]HN)(OFe2)(H)2	H(CCHO)	H(CCHO)	108.2875	0.096	30	108.2875	0.009	30	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CH3)(OBC)(H)2	H(CCHO)	H(CCHO)	C(CH3)(OBC)(H)2	H(CCHO)	H(CCHO)	108.6490	1.702	6	108.6490	2.897	6	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CH3)(OCH)(H)2	H(CCHO)	H(CCHO)	C(CH3)(OCH)(H)2	H(CCHO)	H(CCHO)	107.2160	0.000	1	107.2160	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CH3)(OCV)(H)2	H(CCHO)	H(CCHO)	C(CH3)(OCV)(H)2	H(CCHO)	H(CCHO)	110.1082	4.475	4	110.1082	20.023	4	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CH3)(OCW)(H)2	H(CCHO)	H(CCHO)	C(CH3)(OCW)(H)2	H(CCHO)	H(CCHO)	107.8605	0.052	2	107.8605	0.003	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CH3)(OHH)(H)2	H(CCHO)	H(CCHO)	C(CH3)(OHH)(H)2	H(CCHO)	H(CCHO)	108.1600	0.000	1	108.1600	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CH3)(OVV)(H)2	H(CCHO)	H(CCHO)	C(CH3)(OVV)(H)2	H(CCHO)	H(CCHO)	107.9025	0.223	2	107.9025	0.050	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OAl2)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OAl2)(H)2	H(CCHO)	H(CCHO)	108.6111	0.369	10	108.6111	0.136	10	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OBaC)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OBaC)(H)2	H(CCHO)	H(CCHO)	107.9989	1.338	11	107.9989	1.791	11	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OBaH)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OBaH)(H)2	H(CCHO)	H(CCHO)	108.3380	0.000	1	108.3380	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OCW)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OCW)(H)2	H(CCHO)	H(CCHO)	108.6260	0.000	1	108.6260	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OCaC)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OCaC)(H)2	H(CCHO)	H(CCHO)	112.0820	9.386	5	112.0820	88.091	5	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OCaH)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OCaH)(H)2	H(CCHO)	H(CCHO)	98.2731	0.474	8	98.2731	0.224	8	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OCdH)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OCdH)(H)2	H(CCHO)	H(CCHO)	108.2900	0.503	5	108.2900	0.253	5	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OCo2)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OCo2)(H)2	H(CCHO)	H(CCHO)	108.4124	0.293	13	108.4124	0.086	13	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OCoC)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OCoC)(H)2	H(CCHO)	H(CCHO)	108.6815	0.123	4	108.6815	0.015	4	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OCoH)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OCoH)(H)2	H(CCHO)	H(CCHO)	108.2916	0.646	17	108.2916	0.417	17	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OCr2)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OCr2)(H)2	H(CCHO)	H(CCHO)	108.5277	0.162	4	108.5277	0.026	4	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OCrH)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OCrH)(H)2	H(CCHO)	H(CCHO)	108.5650	0.121	3	108.5650	0.015	3	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OCu2)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OCu2)(H)2	H(CCHO)	H(CCHO)	108.0805	0.018	2	108.0805	0.000	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OCuC)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OCuC)(H)2	H(CCHO)	H(CCHO)	108.8592	0.073	5	108.8592	0.005	5	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OCuH)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OCuH)(H)2	H(CCHO)	H(CCHO)	108.3434	0.270	8	108.3434	0.073	8	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OFe2)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OFe2)(H)2	H(CCHO)	H(CCHO)	108.5468	1.268	86	108.5468	1.609	86	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OFeC)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OFeC)(H)2	H(CCHO)	H(CCHO)	108.6073	0.123	10	108.6073	0.015	10	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OFeH)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OFeH)(H)2	H(CCHO)	H(CCHO)	108.6210	0.000	1	108.6210	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OFeY)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OFeY)(H)2	H(CCHO)	H(CCHO)	108.1650	0.124	2	108.1650	0.015	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OIrC)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OIrC)(H)2	H(CCHO)	H(CCHO)	109.1335	0.575	2	109.1335	0.330	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OLiC)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OLiC)(H)2	H(CCHO)	H(CCHO)	108.6406	1.273	31	108.6406	1.621	31	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OLiH)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OLiH)(H)2	H(CCHO)	H(CCHO)	108.2277	0.250	3	108.2277	0.063	3	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OMg2)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OMg2)(H)2	H(CCHO)	H(CCHO)	108.1090	0.093	2	108.1090	0.009	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OMgC)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OMgC)(H)2	H(CCHO)	H(CCHO)	108.6308	0.923	4	108.6308	0.852	4	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OMgH)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OMgH)(H)2	H(CCHO)	H(CCHO)	108.5370	0.075	2	108.5370	0.006	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OMn2)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OMn2)(H)2	H(CCHO)	H(CCHO)	108.4485	0.468	32	108.4485	0.219	32	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OMnC)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OMnC)(H)2	H(CCHO)	H(CCHO)	108.5685	0.154	20	108.5685	0.024	20	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OMnH)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OMnH)(H)2	H(CCHO)	H(CCHO)	108.3357	0.184	9	108.3357	0.034	9	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(ONi2)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(ONi2)(H)2	H(CCHO)	H(CCHO)	108.1150	0.099	3	108.1150	0.010	3	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(ONiC)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(ONiC)(H)2	H(CCHO)	H(CCHO)	108.8078	0.372	16	108.8078	0.138	16	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(ONiH)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(ONiH)(H)2	H(CCHO)	H(CCHO)	108.3634	0.598	45	108.3634	0.358	45	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OPdH)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OPdH)(H)2	H(CCHO)	H(CCHO)	108.1900	0.000	1	108.1900	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OSmC)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OSmC)(H)2	H(CCHO)	H(CCHO)	108.3868	0.173	6	108.3868	0.030	6	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OSn2)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OSn2)(H)2	H(CCHO)	H(CCHO)	108.1652	0.635	12	108.1652	0.403	12	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OSnC)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OSnC)(H)2	H(CCHO)	H(CCHO)	108.5395	0.193	2	108.5395	0.037	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OSrC)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OSrC)(H)2	H(CCHO)	H(CCHO)	106.0093	3.939	3	106.0093	15.519	3	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OTiC)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OTiC)(H)2	H(CCHO)	H(CCHO)	108.6700	0.000	1	108.6700	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OZn2)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OZn2)(H)2	H(CCHO)	H(CCHO)	108.2318	0.094	6	108.2318	0.009	6	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OZnC)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OZnC)(H)2	H(CCHO)	H(CCHO)	108.5740	0.000	1	108.5740	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(OZnH)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OZnH)(H)2	H(CCHO)	H(CCHO)	108.2278	1.325	6	108.2278	1.755	6	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OAl2)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OAl2)(H)2	H(CCHO)	H(CCHO)	108.7218	0.065	4	108.7218	0.004	4	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OAlC)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OAlC)(H)2	H(CCHO)	H(CCHO)	108.7230	0.158	2	108.7230	0.025	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OBaC)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OBaC)(H)2	H(CCHO)	H(CCHO)	108.8518	0.796	190	108.8518	0.634	190	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OBaH)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OBaH)(H)2	H(CCHO)	H(CCHO)	108.1502	0.264	5	108.1502	0.070	5	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OBe2)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OBe2)(H)2	H(CCHO)	H(CCHO)	108.2291	0.429	7	108.2291	0.184	7	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OBeC)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OBeC)(H)2	H(CCHO)	H(CCHO)	108.5570	0.400	2	108.5570	0.160	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OCV)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OCV)(H)2	H(CCHO)	H(CCHO)	108.5410	0.137	2	108.5410	0.019	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OCW)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OCW)(H)2	H(CCHO)	H(CCHO)	108.5402	0.058	9	108.5402	0.003	9	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OCaC)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OCaC)(H)2	H(CCHO)	H(CCHO)	107.9276	3.361	102	107.9276	11.294	102	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OCdC)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OCdC)(H)2	H(CCHO)	H(CCHO)	107.3092	0.662	20	107.3092	0.438	20	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OCoC)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OCoC)(H)2	H(CCHO)	H(CCHO)	108.5315	0.196	13	108.5315	0.038	13	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OCoH)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OCoH)(H)2	H(CCHO)	H(CCHO)	108.5720	0.000	1	108.5720	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OCrC)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OCrC)(H)2	H(CCHO)	H(CCHO)	108.4142	0.063	4	108.4142	0.004	4	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OCu2)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OCu2)(H)2	H(CCHO)	H(CCHO)	107.9765	0.137	4	107.9765	0.019	4	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OEuC)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OEuC)(H)2	H(CCHO)	H(CCHO)	108.3638	0.051	6	108.3638	0.003	6	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OFeC)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OFeC)(H)2	H(CCHO)	H(CCHO)	108.5748	0.172	48	108.5748	0.030	48	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OIrC)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OIrC)(H)2	H(CCHO)	H(CCHO)	107.6040	0.010	2	107.6040	0.000	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OLiC)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OLiC)(H)2	H(CCHO)	H(CCHO)	108.4178	0.707	461	108.4178	0.500	461	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OMg2)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OMg2)(H)2	H(CCHO)	H(CCHO)	107.2620	0.000	1	107.2620	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OMgC)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OMgC)(H)2	H(CCHO)	H(CCHO)	108.4249	1.094	68	108.4249	1.197	68	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OMnC)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OMnC)(H)2	H(CCHO)	H(CCHO)	108.4744	0.585	130	108.4744	0.342	130	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OMoC)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OMoC)(H)2	H(CCHO)	H(CCHO)	108.5705	0.065	4	108.5705	0.004	4	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(ONiH)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(ONiH)(H)2	H(CCHO)	H(CCHO)	108.4613	0.262	4	108.4613	0.068	4	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OOs2)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OOs2)(H)2	H(CCHO)	H(CCHO)	107.9060	0.341	2	107.9060	0.116	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(ORuH)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(ORuH)(H)2	H(CCHO)	H(CCHO)	108.6990	0.190	2	108.6990	0.036	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OSmC)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OSmC)(H)2	H(CCHO)	H(CCHO)	108.3425	0.285	12	108.3425	0.081	12	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OSrC)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OSrC)(H)2	H(CCHO)	H(CCHO)	107.3640	9.598	22	107.3640	92.130	22	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OTaC)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OTaC)(H)2	H(CCHO)	H(CCHO)	107.3055	0.060	2	107.3055	0.004	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OTiC)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OTiC)(H)2	H(CCHO)	H(CCHO)	109.2240	0.402	3	109.2240	0.162	3	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OTiH)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OTiH)(H)2	H(CCHO)	H(CCHO)	108.7450	0.000	1	108.7450	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OZnC)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OZnC)(H)2	H(CCHO)	H(CCHO)	108.2403	0.553	4	108.2403	0.305	4	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(OZnH)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OZnH)(H)2	H(CCHO)	H(CCHO)	108.4805	0.202	15	108.4805	0.041	15	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(ORuC)(H)2	H(CCHO)	H(CCHO)	C(CHHP)(ORuC)(H)2	H(CCHO)	H(CCHO)	108.5990	0.466	7	108.5990	0.218	7	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(OCoC)(H)2	H(CCHO)	H(CCHO)	C(CHHS)(OCoC)(H)2	H(CCHO)	H(CCHO)	107.9955	0.018	2	107.9955	0.000	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(OCuC)(H)2	H(CCHO)	H(CCHO)	C(CHHS)(OCuC)(H)2	H(CCHO)	H(CCHO)	108.3560	0.047	2	108.3560	0.002	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(ONiC)(H)2	H(CCHO)	H(CCHO)	C(CHHS)(ONiC)(H)2	H(CCHO)	H(CCHO)	108.3463	0.267	3	108.3463	0.071	3	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(ORuC)(H)2	H(CCHO)	H(CCHO)	C(CHHS)(ORuC)(H)2	H(CCHO)	H(CCHO)	108.1485	0.180	6	108.1485	0.032	6	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(OSrC)(H)2	H(CCHO)	H(CCHO)	C(CHHS)(OSrC)(H)2	H(CCHO)	H(CCHO)	108.2390	0.106	4	108.2390	0.011	4	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CN[5]2H)(OMnH)(H)2	H(CCHO)	H(CCHO)	C(CN[5]2H)(OMnH)(H)2	H(CCHO)	H(CCHO)	108.0773	0.519	3	108.0773	0.270	3	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(OCu2)(H)2	H(CCHO)	H(CCHO)	C(CN[5]HH)(OCu2)(H)2	H(CCHO)	H(CCHO)	108.1040	0.000	2	108.1040	0.000	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(OCuC)(H)2	H(CCHO)	H(CCHO)	C(CN[5]HH)(OCuC)(H)2	H(CCHO)	H(CCHO)	108.2760	0.000	1	108.2760	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(OMnNi)(H)2	H(CCHO)	H(CCHO)	C(CN[5]HH)(OMnNi)(H)2	H(CCHO)	H(CCHO)	108.1000	0.191	3	108.1000	0.037	3	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(ONiH)(H)2	H(CCHO)	H(CCHO)	C(CN[5]HH)(ONiH)(H)2	H(CCHO)	H(CCHO)	108.2880	0.000	1	108.2880	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(ORuC)(H)2	H(CCHO)	H(CCHO)	C(CN[5]HH)(ORuC)(H)2	H(CCHO)	H(CCHO)	108.0076	0.174	8	108.0076	0.030	8	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(OAl2)(H)2	H(CCHO)	H(CCHO)	C(CN[6]HH)(OAl2)(H)2	H(CCHO)	H(CCHO)	106.6360	0.000	1	106.6360	0.000	1	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CPuNO)(OPuC)(H)2	H(CCHO)	H(CCHO)	C(CPuNO)(OPuC)(H)2	H(CCHO)	H(CCHO)	108.6951	0.189	8	108.6951	0.036	8	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:O-3:H-1:H-1:	C-4:	C-4:	C(CSeHH)(OCaC)(H)2	H(CCHO)	H(CCHO)	C(CSeHH)(OCaC)(H)2	H(CCHO)	H(CCHO)	108.1445	0.104	2	108.1445	0.011	2	108.3567	2.966	1822	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:P-3:H-1:H-1:	C-4:	C-4:	C(CCCO)(PCC)(H)2	H(CCHP)	H(CCHP)	C(CCCO)(PCC)(H)2	H(CCHP)	H(CCHP)	107.7168	0.202	8	107.7168	0.041	8	108.0171	1.510	99	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:P-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(PCC)(H)2	H(CCHP)	H(CCHP)	C(CCHH)(PCC)(H)2	H(CCHP)	H(CCHP)	107.7740	1.048	17	107.7740	1.098	17	108.0171	1.510	99	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:P-3:H-1:H-1:	C-4:	C-4:	C(CC[3x3,4,3x5,14x6]CH)(PC[6a]2)(H)2	H(CCHP)	H(CCHP)	C(CC[3x3,4,3x5,14x6]CH)(PC[6a]2)(H)2	H(CCHP)	H(CCHP)	107.6710	0.000	1	107.6710	0.000	1	108.0171	1.510	99	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:P-3:H-1:H-1:	C-4:	C-4:	C(CC[4]HH)(PC[6a]2)(H)2	H(CCHP)	H(CCHP)	C(CC[4]HH)(PC[6a]2)(H)2	H(CCHP)	H(CCHP)	108.1645	0.074	2	108.1645	0.006	2	108.0171	1.510	99	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:P-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(PCC)(H)2	H(CCHP)	H(CCHP)	C(CC[5]HH)(PCC)(H)2	H(CCHP)	H(CCHP)	107.7845	0.080	2	107.7845	0.006	2	108.0171	1.510	99	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:P-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(PCW)(H)2	H(CCHP)	H(CCHP)	C(CC[5]HH)(PCW)(H)2	H(CCHP)	H(CCHP)	107.3900	0.284	2	107.3900	0.081	2	108.0171	1.510	99	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:P-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(PC[6a]2)(H)2	H(CCHP)	H(CCHP)	C(CC[5]HH)(PC[6a]2)(H)2	H(CCHP)	H(CCHP)	107.9927	0.150	3	107.9927	0.023	3	108.0171	1.510	99	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:P-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(PC[6a]2)(H)2	H(CCHP)	H(CCHP)	C(CC[6a]HN)(PC[6a]2)(H)2	H(CCHP)	H(CCHP)	107.2030	0.000	1	107.2030	0.000	1	108.0171	1.510	99	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:P-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HP)(PC[6a]2)(H)2	H(CCHP)	H(CCHP)	C(CC[6a]HP)(PC[6a]2)(H)2	H(CCHP)	H(CCHP)	107.7227	0.696	3	107.7227	0.484	3	108.0171	1.510	99	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:P-3:H-1:H-1:	C-4:	C-4:	C(CH3)(PCC)(H)2	H(CCHP)	H(CCHP)	C(CH3)(PCC)(H)2	H(CCHP)	H(CCHP)	109.6805	3.035	6	109.6805	9.214	6	108.0171	1.510	99	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:P-3:H-1:H-1:	C-4:	C-4:	C(CH3)(PCN)(H)2	H(CCHP)	H(CCHP)	C(CH3)(PCN)(H)2	H(CCHP)	H(CCHP)	106.6690	0.000	1	106.6690	0.000	1	108.0171	1.510	99	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:P-3:H-1:H-1:	C-4:	C-4:	C(CH3)(PPP)(H)2	H(CCHP)	H(CCHP)	C(CH3)(PPP)(H)2	H(CCHP)	H(CCHP)	108.1410	0.105	4	108.1410	0.011	4	108.0171	1.510	99	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:P-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(PCC)(H)2	H(CCHP)	H(CCHP)	C(CHHN)(PCC)(H)2	H(CCHP)	H(CCHP)	107.7169	0.355	12	107.7169	0.126	12	108.0171	1.510	99	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:P-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(PCC)(H)2	H(CCHP)	H(CCHP)	C(CHHP)(PCC)(H)2	H(CCHP)	H(CCHP)	108.2531	1.542	24	108.2531	2.378	24	108.0171	1.510	99	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:P-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(PCI)(H)2	H(CCHP)	H(CCHP)	C(CHHP)(PCI)(H)2	H(CCHP)	H(CCHP)	108.1580	0.000	1	108.1580	0.000	1	108.0171	1.510	99	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:P-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(PCP)(H)2	H(CCHP)	H(CCHP)	C(CHHP)(PCP)(H)2	H(CCHP)	H(CCHP)	107.9645	0.139	2	107.9645	0.019	2	108.0171	1.510	99	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:P-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(PHH)(H)2	H(CCHP)	H(CCHP)	C(CHHP)(PHH)(H)2	H(CCHP)	H(CCHP)	107.3620	0.000	1	107.3620	0.000	1	108.0171	1.510	99	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:P-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(PPdC)(H)2	H(CCHP)	H(CCHP)	C(CHHP)(PPdC)(H)2	H(CCHP)	H(CCHP)	108.0340	0.000	1	108.0340	0.000	1	108.0171	1.510	99	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:P-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(PPtC)(H)2	H(CCHP)	H(CCHP)	C(CHHP)(PPtC)(H)2	H(CCHP)	H(CCHP)	108.1110	0.000	1	108.1110	0.000	1	108.0171	1.510	99	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:P-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(PThC)(H)2	H(CCHP)	H(CCHP)	C(CHHP)(PThC)(H)2	H(CCHP)	H(CCHP)	108.0090	0.815	3	108.0090	0.665	3	108.0171	1.510	99	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:P-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(PC[6a]2)(H)2	H(CCHP)	H(CCHP)	C(CN[5]HH)(PC[6a]2)(H)2	H(CCHP)	H(CCHP)	107.7985	0.380	2	107.7985	0.144	2	108.0171	1.510	99	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:P-3:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(PCC)(H)2	H(CCHP)	H(CCHP)	C(CN[5a]HH)(PCC)(H)2	H(CCHP)	H(CCHP)	107.6230	0.000	1	107.6230	0.000	1	108.0171	1.510	99	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:P-3:H-1:H-1:	C-4:	C-4:	C(CN[6]CH)(PC[6a]2)(H)2	H(CCHP)	H(CCHP)	C(CN[6]CH)(PC[6a]2)(H)2	H(CCHP)	H(CCHP)	108.2640	0.000	1	108.2640	0.000	1	108.0171	1.510	99	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCCH)(SCO)(H)2	H(CCHS)	H(CCHS)	C(CCCH)(SCO)(H)2	H(CCHS)	H(CCHS)	107.9210	0.000	1	107.9210	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCCH)(SFe2)(H)2	H(CCHS)	H(CCHS)	C(CCCH)(SFe2)(H)2	H(CCHS)	H(CCHS)	107.1960	0.191	8	107.1960	0.036	8	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCCH)(SPdC)(H)2	H(CCHS)	H(CCHS)	C(CCCH)(SPdC)(H)2	H(CCHS)	H(CCHS)	107.6138	0.151	5	107.6138	0.023	5	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCCS)(SReC)(H)2	H(CCHS)	H(CCHS)	C(CCCS)(SReC)(H)2	H(CCHS)	H(CCHS)	108.5595	1.591	8	108.5595	2.533	8	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SCC)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SCC)(H)2	H(CCHS)	H(CCHS)	107.7460	0.341	9	107.7460	0.116	9	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SCN)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SCN)(H)2	H(CCHS)	H(CCHS)	108.0130	0.000	2	108.0130	0.000	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SCO)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SCO)(H)2	H(CCHS)	H(CCHS)	108.2375	0.018	2	108.2375	0.000	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SCS)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SCS)(H)2	H(CCHS)	H(CCHS)	108.3180	0.000	1	108.3180	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SCW)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SCW)(H)2	H(CCHS)	H(CCHS)	107.5020	0.435	4	107.5020	0.189	4	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SCo2)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SCo2)(H)2	H(CCHS)	H(CCHS)	107.8065	0.043	2	107.8065	0.002	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SCoC)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SCoC)(H)2	H(CCHS)	H(CCHS)	109.7097	3.181	4	109.7097	10.119	4	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SCu2)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SCu2)(H)2	H(CCHS)	H(CCHS)	107.3710	0.000	1	107.3710	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SCuC)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SCuC)(H)2	H(CCHS)	H(CCHS)	107.6564	0.673	17	107.6564	0.453	17	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SFe2)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SFe2)(H)2	H(CCHS)	H(CCHS)	107.4156	0.537	150	107.4156	0.288	150	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SFeC)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SFeC)(H)2	H(CCHS)	H(CCHS)	107.5737	0.579	4	107.5737	0.335	4	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SHgC)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SHgC)(H)2	H(CCHS)	H(CCHS)	106.9440	4.547	2	106.9440	20.672	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SIr2)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SIr2)(H)2	H(CCHS)	H(CCHS)	108.9710	0.893	3	108.9710	0.798	3	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SIrC)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SIrC)(H)2	H(CCHS)	H(CCHS)	107.4860	0.099	2	107.4860	0.010	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SMg2)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SMg2)(H)2	H(CCHS)	H(CCHS)	107.9820	0.000	1	107.9820	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SMn2)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SMn2)(H)2	H(CCHS)	H(CCHS)	108.1030	0.000	1	108.1030	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SMo2)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SMo2)(H)2	H(CCHS)	H(CCHS)	107.8650	0.135	3	107.8650	0.018	3	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SMoC)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SMoC)(H)2	H(CCHS)	H(CCHS)	107.3695	0.371	4	107.3695	0.138	4	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SMoW)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SMoW)(H)2	H(CCHS)	H(CCHS)	107.9955	0.273	6	107.9955	0.074	6	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SNi2)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SNi2)(H)2	H(CCHS)	H(CCHS)	107.8910	1.019	20	107.8910	1.038	20	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SNiC)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SNiC)(H)2	H(CCHS)	H(CCHS)	107.9033	0.303	15	107.9033	0.092	15	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SPd2)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SPd2)(H)2	H(CCHS)	H(CCHS)	107.5080	0.529	7	107.5080	0.279	7	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SPdC)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SPdC)(H)2	H(CCHS)	H(CCHS)	107.5002	0.380	18	107.5002	0.145	18	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SPtC)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SPtC)(H)2	H(CCHS)	H(CCHS)	108.1086	0.925	7	108.1086	0.855	7	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SRe2)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SRe2)(H)2	H(CCHS)	H(CCHS)	107.5867	0.478	4	107.5867	0.228	4	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SReC)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SReC)(H)2	H(CCHS)	H(CCHS)	107.1340	1.870	6	107.1340	3.498	6	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SRh2)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SRh2)(H)2	H(CCHS)	H(CCHS)	107.8020	0.518	4	107.8020	0.268	4	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SRhC)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SRhC)(H)2	H(CCHS)	H(CCHS)	107.7835	0.299	6	107.7835	0.090	6	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SRu2)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SRu2)(H)2	H(CCHS)	H(CCHS)	107.5144	0.343	5	107.5144	0.118	5	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SRuC)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SRuC)(H)2	H(CCHS)	H(CCHS)	107.8140	0.694	41	107.8140	0.482	41	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SYb2)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SYb2)(H)2	H(CCHS)	H(CCHS)	106.7410	0.000	1	106.7410	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SZrC)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SZrC)(H)2	H(CCHS)	H(CCHS)	109.4115	0.033	2	109.4115	0.001	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(SCN)(H)2	H(CCHS)	H(CCHS)	C(CCHN)(SCN)(H)2	H(CCHS)	H(CCHS)	107.8450	0.000	2	107.8450	0.000	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(SCO)(H)2	H(CCHS)	H(CCHS)	C(CCHN)(SCO)(H)2	H(CCHS)	H(CCHS)	108.0932	0.098	5	108.0932	0.010	5	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(SFe2)(H)2	H(CCHS)	H(CCHS)	C(CCHN)(SFe2)(H)2	H(CCHS)	H(CCHS)	107.9680	0.000	1	107.9680	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(SIrC)(H)2	H(CCHS)	H(CCHS)	C(CCHN)(SIrC)(H)2	H(CCHS)	H(CCHS)	99.9125	0.000	1	99.9125	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(SPd2)(H)2	H(CCHS)	H(CCHS)	C(CCHN)(SPd2)(H)2	H(CCHS)	H(CCHS)	108.0500	0.420	2	108.0500	0.176	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHN)(SReC)(H)2	H(CCHS)	H(CCHS)	C(CCHN)(SReC)(H)2	H(CCHS)	H(CCHS)	108.0249	0.214	17	108.0249	0.046	17	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHO)(SCO)(H)2	H(CCHS)	H(CCHS)	C(CCHO)(SCO)(H)2	H(CCHS)	H(CCHS)	107.8700	0.000	1	107.8700	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHO)(SFe2)(H)2	H(CCHS)	H(CCHS)	C(CCHO)(SFe2)(H)2	H(CCHS)	H(CCHS)	107.4681	0.169	27	107.4681	0.029	27	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CCHS)(SFe2)(H)2	H(CCHS)	H(CCHS)	C(CCHS)(SFe2)(H)2	H(CCHS)	H(CCHS)	107.9285	0.095	2	107.9285	0.009	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(SC[6a]O)(H)2	H(CCHS)	H(CCHS)	C(CC[5]HH)(SC[6a]O)(H)2	H(CCHS)	H(CCHS)	110.7370	0.000	1	110.7370	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(SNiC)(H)2	H(CCHS)	H(CCHS)	C(CC[5]HH)(SNiC)(H)2	H(CCHS)	H(CCHS)	108.6577	8.312	3	108.6577	69.091	3	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(SRuC)(H)2	H(CCHS)	H(CCHS)	C(CC[5]HH)(SRuC)(H)2	H(CCHS)	H(CCHS)	107.5763	0.081	3	107.5763	0.007	3	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(SZnC)(H)2	H(CCHS)	H(CCHS)	C(CC[5]HH)(SZnC)(H)2	H(CCHS)	H(CCHS)	107.6405	0.103	2	107.6405	0.011	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CC[5]HN)(SPdC)(H)2	H(CCHS)	H(CCHS)	C(CC[5]HN)(SPdC)(H)2	H(CCHS)	H(CCHS)	108.2215	0.121	2	108.2215	0.015	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(SCuC)(H)2	H(CCHS)	H(CCHS)	C(CC[5a]HH)(SCuC)(H)2	H(CCHS)	H(CCHS)	107.9475	0.373	2	107.9475	0.139	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(SPdC)(H)2	H(CCHS)	H(CCHS)	C(CC[5a]HH)(SPdC)(H)2	H(CCHS)	H(CCHS)	107.5820	0.000	1	107.5820	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CC[6]CC)(SFe2)(H)2	H(CCHS)	H(CCHS)	C(CC[6]CC)(SFe2)(H)2	H(CCHS)	H(CCHS)	107.0755	0.177	4	107.0755	0.031	4	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(SCuC)(H)2	H(CCHS)	H(CCHS)	C(CC[6]HH)(SCuC)(H)2	H(CCHS)	H(CCHS)	107.7310	0.211	5	107.7310	0.045	5	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(SNiC)(H)2	H(CCHS)	H(CCHS)	C(CC[6]HH)(SNiC)(H)2	H(CCHS)	H(CCHS)	115.1390	1.745	2	115.1390	3.046	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(SReC)(H)2	H(CCHS)	H(CCHS)	C(CC[6]HH)(SReC)(H)2	H(CCHS)	H(CCHS)	117.7610	0.000	1	117.7610	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(SRuC)(H)2	H(CCHS)	H(CCHS)	C(CC[6]HH)(SRuC)(H)2	H(CCHS)	H(CCHS)	107.9607	0.121	3	107.9607	0.015	3	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]2S)(SCuC)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]2S)(SCuC)(H)2	H(CCHS)	H(CCHS)	108.0620	0.000	1	108.0620	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(SAu2)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]HH)(SAu2)(H)2	H(CCHS)	H(CCHS)	107.8930	0.000	1	107.8930	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(SCC)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]HH)(SCC)(H)2	H(CCHS)	H(CCHS)	108.3170	0.000	1	108.3170	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(SCO)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]HH)(SCO)(H)2	H(CCHS)	H(CCHS)	108.1010	0.017	4	108.1010	0.000	4	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(SCuC)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]HH)(SCuC)(H)2	H(CCHS)	H(CCHS)	107.6540	0.000	1	107.6540	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(SIr2)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]HH)(SIr2)(H)2	H(CCHS)	H(CCHS)	107.6200	0.675	3	107.6200	0.456	3	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(SNO)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]HH)(SNO)(H)2	H(CCHS)	H(CCHS)	107.9740	0.000	1	107.9740	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(SNi2)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]HH)(SNi2)(H)2	H(CCHS)	H(CCHS)	108.0206	0.126	9	108.0206	0.016	9	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(SPd2)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]HH)(SPd2)(H)2	H(CCHS)	H(CCHS)	108.1946	0.200	5	108.1946	0.040	5	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(SRh2)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]HH)(SRh2)(H)2	H(CCHS)	H(CCHS)	107.8805	0.062	2	107.8805	0.004	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(SRuC)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]HH)(SRuC)(H)2	H(CCHS)	H(CCHS)	107.6460	0.000	1	107.6460	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(SC[6a]O)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]HO)(SC[6a]O)(H)2	H(CCHS)	H(CCHS)	107.4340	0.000	1	107.4340	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CC[6a]HS)(SC[6a]Ru)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]HS)(SC[6a]Ru)(H)2	H(CCHS)	H(CCHS)	107.6600	0.000	1	107.6600	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CClHH)(SCS)(H)2	H(CCHS)	H(CCHS)	C(CClHH)(SCS)(H)2	H(CCHS)	H(CCHS)	107.6770	0.000	1	107.6770	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CClHH)(SIr2)(H)2	H(CCHS)	H(CCHS)	C(CClHH)(SIr2)(H)2	H(CCHS)	H(CCHS)	109.4070	0.000	1	109.4070	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CFeCH)(SFeC)(H)2	H(CCHS)	H(CCHS)	C(CFeCH)(SFeC)(H)2	H(CCHS)	H(CCHS)	107.4890	0.000	1	107.4890	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CH3)(SCC)(H)2	H(CCHS)	H(CCHS)	C(CH3)(SCC)(H)2	H(CCHS)	H(CCHS)	105.4073	0.724	3	105.4073	0.525	3	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CH3)(SCI)(H)2	H(CCHS)	H(CCHS)	C(CH3)(SCI)(H)2	H(CCHS)	H(CCHS)	107.9135	0.417	8	107.9135	0.174	8	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CH3)(SCO)(H)2	H(CCHS)	H(CCHS)	C(CH3)(SCO)(H)2	H(CCHS)	H(CCHS)	108.1365	0.177	2	108.1365	0.032	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CH3)(SCV)(H)2	H(CCHS)	H(CCHS)	C(CH3)(SCV)(H)2	H(CCHS)	H(CCHS)	107.7540	0.004	2	107.7540	0.000	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CH3)(SWW)(H)2	H(CCHS)	H(CCHS)	C(CH3)(SWW)(H)2	H(CCHS)	H(CCHS)	107.5950	0.368	2	107.5950	0.135	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SAgC)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SAgC)(H)2	H(CCHS)	H(CCHS)	107.9030	0.435	9	107.9030	0.189	9	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SCC)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SCC)(H)2	H(CCHS)	H(CCHS)	107.7547	0.148	3	107.7547	0.022	3	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SCoC)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SCoC)(H)2	H(CCHS)	H(CCHS)	108.4797	0.528	20	108.4797	0.279	20	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SCrC)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SCrC)(H)2	H(CCHS)	H(CCHS)	108.1210	0.363	3	108.1210	0.131	3	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SCu2)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SCu2)(H)2	H(CCHS)	H(CCHS)	104.8212	8.025	3	104.8212	64.407	3	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SCuC)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SCuC)(H)2	H(CCHS)	H(CCHS)	107.9457	0.579	23	107.9457	0.336	23	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SFe2)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SFe2)(H)2	H(CCHS)	H(CCHS)	108.1436	0.236	38	108.1436	0.056	38	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SFeC)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SFeC)(H)2	H(CCHS)	H(CCHS)	108.7887	2.727	11	108.7887	7.438	11	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SFeW)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SFeW)(H)2	H(CCHS)	H(CCHS)	108.3215	0.316	2	108.3215	0.100	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SHgC)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SHgC)(H)2	H(CCHS)	H(CCHS)	107.4586	0.281	5	107.4586	0.079	5	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SIrS)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SIrS)(H)2	H(CCHS)	H(CCHS)	109.4825	0.103	2	109.4825	0.011	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SIrV)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SIrV)(H)2	H(CCHS)	H(CCHS)	109.4170	0.235	2	109.4170	0.055	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SMn2)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SMn2)(H)2	H(CCHS)	H(CCHS)	108.9638	2.157	4	108.9638	4.654	4	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SMnC)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SMnC)(H)2	H(CCHS)	H(CCHS)	108.0530	0.000	1	108.0530	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SMoC)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SMoC)(H)2	H(CCHS)	H(CCHS)	107.8070	0.168	4	107.8070	0.028	4	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SNi2)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SNi2)(H)2	H(CCHS)	H(CCHS)	108.3540	0.248	20	108.3540	0.062	20	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SNiC)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SNiC)(H)2	H(CCHS)	H(CCHS)	107.5044	0.916	18	107.5044	0.840	18	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SNiW)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SNiW)(H)2	H(CCHS)	H(CCHS)	108.5633	0.347	3	108.5633	0.120	3	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SPd2)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SPd2)(H)2	H(CCHS)	H(CCHS)	110.1255	0.822	2	110.1255	0.676	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SPdC)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SPdC)(H)2	H(CCHS)	H(CCHS)	108.2904	0.993	24	108.2904	0.986	24	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SPtC)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SPtC)(H)2	H(CCHS)	H(CCHS)	108.1110	0.107	2	108.1110	0.012	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SPtO)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SPtO)(H)2	H(CCHS)	H(CCHS)	108.2920	0.000	1	108.2920	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SReC)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SReC)(H)2	H(CCHS)	H(CCHS)	108.6616	0.893	5	108.6616	0.798	5	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SRhC)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SRhC)(H)2	H(CCHS)	H(CCHS)	110.0918	2.390	8	110.0918	5.711	8	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SRhH)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SRhH)(H)2	H(CCHS)	H(CCHS)	105.7117	2.077	3	105.7117	4.313	3	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SRuC)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SRuC)(H)2	H(CCHS)	H(CCHS)	108.0690	0.270	6	108.0690	0.073	6	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(STiC)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(STiC)(H)2	H(CCHS)	H(CCHS)	107.9780	0.027	2	107.9780	0.001	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SZn2)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SZn2)(H)2	H(CCHS)	H(CCHS)	107.7382	0.120	6	107.7382	0.014	6	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHN)(SZnC)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SZnC)(H)2	H(CCHS)	H(CCHS)	108.1867	1.477	23	108.1867	2.180	23	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(SAgC)(H)2	H(CCHS)	H(CCHS)	C(CHHO)(SAgC)(H)2	H(CCHS)	H(CCHS)	107.5380	0.083	2	107.5380	0.007	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(SCN)(H)2	H(CCHS)	H(CCHS)	C(CHHO)(SCN)(H)2	H(CCHS)	H(CCHS)	107.8819	0.346	11	107.8819	0.120	11	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(SCO)(H)2	H(CCHS)	H(CCHS)	C(CHHO)(SCO)(H)2	H(CCHS)	H(CCHS)	111.3957	2.829	3	111.3957	8.002	3	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(SCoC)(H)2	H(CCHS)	H(CCHS)	C(CHHO)(SCoC)(H)2	H(CCHS)	H(CCHS)	107.7340	0.155	3	107.7340	0.024	3	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(SCuC)(H)2	H(CCHS)	H(CCHS)	C(CHHO)(SCuC)(H)2	H(CCHS)	H(CCHS)	108.9354	2.601	8	108.9354	6.766	8	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(SFe2)(H)2	H(CCHS)	H(CCHS)	C(CHHO)(SFe2)(H)2	H(CCHS)	H(CCHS)	107.7985	0.314	18	107.7985	0.098	18	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(SHgC)(H)2	H(CCHS)	H(CCHS)	C(CHHO)(SHgC)(H)2	H(CCHS)	H(CCHS)	107.7370	0.000	1	107.7370	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(SMo2)(H)2	H(CCHS)	H(CCHS)	C(CHHO)(SMo2)(H)2	H(CCHS)	H(CCHS)	107.9080	0.000	1	107.9080	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(SNiC)(H)2	H(CCHS)	H(CCHS)	C(CHHO)(SNiC)(H)2	H(CCHS)	H(CCHS)	107.6199	0.134	7	107.6199	0.018	7	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(SPdC)(H)2	H(CCHS)	H(CCHS)	C(CHHO)(SPdC)(H)2	H(CCHS)	H(CCHS)	107.3801	1.114	141	107.3801	1.240	141	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(SPtC)(H)2	H(CCHS)	H(CCHS)	C(CHHO)(SPtC)(H)2	H(CCHS)	H(CCHS)	107.3648	0.254	6	107.3648	0.065	6	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(SRuB)(H)2	H(CCHS)	H(CCHS)	C(CHHO)(SRuB)(H)2	H(CCHS)	H(CCHS)	107.8083	0.100	4	107.8083	0.010	4	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(SRuC)(H)2	H(CCHS)	H(CCHS)	C(CHHO)(SRuC)(H)2	H(CCHS)	H(CCHS)	107.5648	0.127	4	107.5648	0.016	4	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(SSnC)(H)2	H(CCHS)	H(CCHS)	C(CHHO)(SSnC)(H)2	H(CCHS)	H(CCHS)	107.8955	0.367	2	107.8955	0.135	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHO)(SSrC)(H)2	H(CCHS)	H(CCHS)	C(CHHO)(SSrC)(H)2	H(CCHS)	H(CCHS)	107.7525	0.046	2	107.7525	0.002	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(SFe2)(H)2	H(CCHS)	H(CCHS)	C(CHHP)(SFe2)(H)2	H(CCHS)	H(CCHS)	108.0804	0.423	5	108.0804	0.179	5	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(SMoC)(H)2	H(CCHS)	H(CCHS)	C(CHHP)(SMoC)(H)2	H(CCHS)	H(CCHS)	107.7460	0.102	4	107.7460	0.010	4	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(SNiC)(H)2	H(CCHS)	H(CCHS)	C(CHHP)(SNiC)(H)2	H(CCHS)	H(CCHS)	108.3981	0.921	7	108.3981	0.849	7	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(SOsC)(H)2	H(CCHS)	H(CCHS)	C(CHHP)(SOsC)(H)2	H(CCHS)	H(CCHS)	107.9445	0.098	2	107.9445	0.010	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(SPdC)(H)2	H(CCHS)	H(CCHS)	C(CHHP)(SPdC)(H)2	H(CCHS)	H(CCHS)	108.1110	0.327	2	108.1110	0.107	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(SPtC)(H)2	H(CCHS)	H(CCHS)	C(CHHP)(SPtC)(H)2	H(CCHS)	H(CCHS)	108.1002	0.308	6	108.1002	0.095	6	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHP)(STcC)(H)2	H(CCHS)	H(CCHS)	C(CHHP)(STcC)(H)2	H(CCHS)	H(CCHS)	107.8885	0.217	2	107.8885	0.047	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SAgC)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SAgC)(H)2	H(CCHS)	H(CCHS)	107.5024	0.397	19	107.5024	0.157	19	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SAlC)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SAlC)(H)2	H(CCHS)	H(CCHS)	107.8760	0.221	8	107.8760	0.049	8	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SBiC)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SBiC)(H)2	H(CCHS)	H(CCHS)	109.5245	0.407	4	109.5245	0.166	4	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SCH)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SCH)(H)2	H(CCHS)	H(CCHS)	107.7685	0.286	2	107.7685	0.082	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SCN)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SCN)(H)2	H(CCHS)	H(CCHS)	107.3735	0.340	2	107.3735	0.116	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SCO)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SCO)(H)2	H(CCHS)	H(CCHS)	108.2843	0.132	3	108.2843	0.017	3	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SCU)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SCU)(H)2	H(CCHS)	H(CCHS)	108.5788	6.219	13	108.5788	38.672	13	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SCW)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SCW)(H)2	H(CCHS)	H(CCHS)	107.9032	0.291	4	107.9032	0.085	4	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SCoC)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SCoC)(H)2	H(CCHS)	H(CCHS)	108.1809	0.675	21	108.1809	0.455	21	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SCu2)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SCu2)(H)2	H(CCHS)	H(CCHS)	107.8126	0.110	9	107.8126	0.012	9	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SCuC)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SCuC)(H)2	H(CCHS)	H(CCHS)	108.6172	4.990	35	108.6172	24.899	35	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SFe2)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SFe2)(H)2	H(CCHS)	H(CCHS)	107.9028	1.234	54	107.9028	1.522	54	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SFeC)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SFeC)(H)2	H(CCHS)	H(CCHS)	107.7665	0.379	47	107.7665	0.143	47	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SGaC)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SGaC)(H)2	H(CCHS)	H(CCHS)	108.0560	0.000	1	108.0560	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SGeC)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SGeC)(H)2	H(CCHS)	H(CCHS)	107.7160	0.000	1	107.7160	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SHfC)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SHfC)(H)2	H(CCHS)	H(CCHS)	106.8615	1.918	2	106.8615	3.680	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SHgC)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SHgC)(H)2	H(CCHS)	H(CCHS)	108.6863	3.185	4	108.6863	10.146	4	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SIr2)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SIr2)(H)2	H(CCHS)	H(CCHS)	109.4490	0.115	4	109.4490	0.013	4	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SLaC)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SLaC)(H)2	H(CCHS)	H(CCHS)	112.3072	7.581	6	112.3072	57.466	6	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SMnC)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SMnC)(H)2	H(CCHS)	H(CCHS)	108.9025	0.833	10	108.9025	0.694	10	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SMo2)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SMo2)(H)2	H(CCHS)	H(CCHS)	108.0280	0.756	3	108.0280	0.571	3	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SMoC)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SMoC)(H)2	H(CCHS)	H(CCHS)	107.8287	0.779	16	107.8287	0.606	16	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SNi2)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SNi2)(H)2	H(CCHS)	H(CCHS)	107.9844	0.365	17	107.9844	0.134	17	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SNiC)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SNiC)(H)2	H(CCHS)	H(CCHS)	107.7105	0.660	42	107.7105	0.435	42	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SPd2)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SPd2)(H)2	H(CCHS)	H(CCHS)	107.6250	0.184	2	107.6250	0.034	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SPdC)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SPdC)(H)2	H(CCHS)	H(CCHS)	107.7054	0.305	171	107.7054	0.093	171	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SPtC)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SPtC)(H)2	H(CCHS)	H(CCHS)	107.9859	0.382	11	107.9859	0.146	11	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SRe2)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SRe2)(H)2	H(CCHS)	H(CCHS)	107.8701	0.432	10	107.8701	0.187	10	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SReC)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SReC)(H)2	H(CCHS)	H(CCHS)	108.2096	0.805	35	108.2096	0.648	35	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SRhC)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SRhC)(H)2	H(CCHS)	H(CCHS)	106.9913	1.797	4	106.9913	3.228	4	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SRu2)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SRu2)(H)2	H(CCHS)	H(CCHS)	107.6174	0.281	8	107.6174	0.079	8	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SRuC)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SRuC)(H)2	H(CCHS)	H(CCHS)	107.7811	0.288	193	107.7811	0.083	193	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SRuS)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SRuS)(H)2	H(CCHS)	H(CCHS)	107.9940	0.000	1	107.9940	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SSeC)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SSeC)(H)2	H(CCHS)	H(CCHS)	107.7220	0.000	1	107.7220	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SSnC)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SSnC)(H)2	H(CCHS)	H(CCHS)	107.4985	0.032	2	107.4985	0.001	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(STaC)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(STaC)(H)2	H(CCHS)	H(CCHS)	107.6510	0.004	2	107.6510	0.000	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(STc2)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(STc2)(H)2	H(CCHS)	H(CCHS)	109.3610	0.000	1	109.3610	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(STcC)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(STcC)(H)2	H(CCHS)	H(CCHS)	109.4508	3.986	18	109.4508	15.890	18	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(STeC)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(STeC)(H)2	H(CCHS)	H(CCHS)	107.4416	0.065	7	107.4416	0.004	7	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CHHS)(SZnC)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SZnC)(H)2	H(CCHS)	H(CCHS)	107.5250	0.038	2	107.5250	0.001	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CN[5]2H)(SCrC)(H)2	H(CCHS)	H(CCHS)	C(CN[5]2H)(SCrC)(H)2	H(CCHS)	H(CCHS)	107.5680	0.000	2	107.5680	0.000	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(SC[5]Pt)(H)2	H(CCHS)	H(CCHS)	C(CN[5]HH)(SC[5]Pt)(H)2	H(CCHS)	H(CCHS)	107.5650	0.000	1	107.5650	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(SC[5]Ru)(H)2	H(CCHS)	H(CCHS)	C(CN[5]HH)(SC[5]Ru)(H)2	H(CCHS)	H(CCHS)	107.7770	0.000	1	107.7770	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(SNi2)(H)2	H(CCHS)	H(CCHS)	C(CN[5]HH)(SNi2)(H)2	H(CCHS)	H(CCHS)	107.9035	0.013	2	107.9035	0.000	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(SNiC)(H)2	H(CCHS)	H(CCHS)	C(CN[5]HH)(SNiC)(H)2	H(CCHS)	H(CCHS)	107.6250	0.000	1	107.6250	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(SPd2)(H)2	H(CCHS)	H(CCHS)	C(CN[5]HH)(SPd2)(H)2	H(CCHS)	H(CCHS)	107.6172	0.138	4	107.6172	0.019	4	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(SPdC)(H)2	H(CCHS)	H(CCHS)	C(CN[5]HH)(SPdC)(H)2	H(CCHS)	H(CCHS)	107.7655	0.355	11	107.7655	0.126	11	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(SReC)(H)2	H(CCHS)	H(CCHS)	C(CN[5]HH)(SReC)(H)2	H(CCHS)	H(CCHS)	107.6160	0.000	1	107.6160	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(SRu2)(H)2	H(CCHS)	H(CCHS)	C(CN[5]HH)(SRu2)(H)2	H(CCHS)	H(CCHS)	107.4830	0.232	2	107.4830	0.054	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(SAgC)(H)2	H(CCHS)	H(CCHS)	C(CN[5a]HH)(SAgC)(H)2	H(CCHS)	H(CCHS)	108.0210	0.225	2	108.0210	0.051	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(SC[6a]Pd)(H)2	H(CCHS)	H(CCHS)	C(CN[5a]HH)(SC[6a]Pd)(H)2	H(CCHS)	H(CCHS)	107.4750	0.000	1	107.4750	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(SRhC)(H)2	H(CCHS)	H(CCHS)	C(CN[5a]HH)(SRhC)(H)2	H(CCHS)	H(CCHS)	107.7080	0.000	1	107.7080	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(SCuC)(H)2	H(CCHS)	H(CCHS)	C(CN[6]HH)(SCuC)(H)2	H(CCHS)	H(CCHS)	107.5468	0.298	4	107.5468	0.089	4	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(SNiPd)(H)2	H(CCHS)	H(CCHS)	C(CN[6]HH)(SNiPd)(H)2	H(CCHS)	H(CCHS)	108.3860	0.116	2	108.3860	0.013	2	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(COPP)(SCC)(H)2	H(CCHS)	H(CCHS)	C(COPP)(SCC)(H)2	H(CCHS)	H(CCHS)	108.8920	0.000	1	108.8920	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	C-4:	C-4:	C(CZrOO)(SMoC)(H)2	H(CCHS)	H(CCHS)	C(CZrOO)(SMoC)(H)2	H(CCHS)	H(CCHS)	107.7720	0.000	1	107.7720	0.000	1	107.8760	2.143	1840	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:Se-3:H-1:H-1:	C-4:	C-4:	C(CCHH)(SeCW)(H)2	H(CSeCH)	H(CSeCH)	C(CCHH)(SeCW)(H)2	H(CSeCH)	H(CSeCH)	106.8920	1.083	2	106.8920	1.174	2	107.7773	0.547	15	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:Se-3:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(SePdC)(H)2	H(CSeCH)	H(CSeCH)	C(CN[5]HH)(SePdC)(H)2	H(CSeCH)	H(CSeCH)	107.5417	0.208	3	107.5417	0.043	3	107.7773	0.547	15	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:Se-3:H-1:H-1:	C-4:	C-4:	C(CSeHH)(SeAlC)(H)2	H(CSeCH)	H(CSeCH)	C(CSeHH)(SeAlC)(H)2	H(CSeCH)	H(CSeCH)	107.6997	0.122	4	107.6997	0.015	4	107.7773	0.547	15	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:Se-3:H-1:H-1:	C-4:	C-4:	C(CSeHH)(SeGaC)(H)2	H(CSeCH)	H(CSeCH)	C(CSeHH)(SeGaC)(H)2	H(CSeCH)	H(CSeCH)	108.2440	0.000	1	108.2440	0.000	1	107.7773	0.547	15	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:Se-3:H-1:H-1:	C-4:	C-4:	C(CSeHH)(SeHfC)(H)2	H(CSeCH)	H(CSeCH)	C(CSeHH)(SeHfC)(H)2	H(CSeCH)	H(CSeCH)	109.2240	0.139	2	109.2240	0.019	2	107.7773	0.547	15	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:Se-3:H-1:H-1:	C-4:	C-4:	C(CSeHH)(SeMoC)(H)2	H(CSeCH)	H(CSeCH)	C(CSeHH)(SeMoC)(H)2	H(CSeCH)	H(CSeCH)	107.6720	0.123	2	107.6720	0.015	2	107.7773	0.547	15	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C-4:Se-3:H-1:H-1:	C-4:	C-4:	C(CSeHH)(SeSnC)(H)2	H(CSeCH)	H(CSeCH)	C(CSeHH)(SeSnC)(H)2	H(CSeCH)	H(CSeCH)	107.4160	0.000	1	107.4160	0.000	1	107.7773	0.547	15	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3,3,5,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[3,3,5,6]B[3x3,5,5,6,6]B[3,3,5,6]B[5x3,5,6])(C[6a]C[6a]2)(H)2	H(CC[3,3,5,6]C[6a]H)	H(CC[3,3,5,6]C[6a]H)	C(C[3,3,5,6]B[3x3,5,5,6,6]B[3,3,5,6]B[5x3,5,6])(C[6a]C[6a]2)(H)2	H(CC[3,3,5,6]C[6a]H)	H(CC[3,3,5,6]C[6a]H)	108.1780	0.120	2	108.1780	0.014	2	108.1780	0.014	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3,4,3x6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]B[3,4,3x6])(C[6a]C[6a]2)(H)2	H(CC[3,4,3x6]C[6a]H)	H(CC[3,4,3x6]C[6a]H)	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]B[3,4,3x6])(C[6a]C[6a]2)(H)2	H(CC[3,4,3x6]C[6a]H)	H(CC[3,4,3x6]C[6a]H)	107.6810	0.000	1	107.6810	0.000	1	109.9247	17.670	3	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3,4,3x6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,3x6])(C[6a]C[6a,6a]C[6a])(H)2	H(CC[3,4,3x6]C[6a]H)	H(CC[3,4,3x6]C[6a]H)	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,3x6])(C[6a]C[6a,6a]C[6a])(H)2	H(CC[3,4,3x6]C[6a]H)	H(CC[3,4,3x6]C[6a]H)	111.0465	5.271	2	111.0465	27.789	2	109.9247	17.670	3	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3,5,5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[3,5,5]C[3,5]2C[5,5])(CCH)(H)2	H(CC[3,5,5]CH)	H(CC[3,5,5]CH)	C(C[3,5,5]C[3,5]2C[5,5])(CCH)(H)2	H(CC[3,5,5]CH)	H(CC[3,5,5]CH)	107.8760	0.134	2	107.8760	0.018	2	107.8760	0.018	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3,5,5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[3,5,5]C[3,5,5,6]2O[5,5])(NHS)(H)2	H(CC[3,5,5]HN)	H(CC[3,5,5]HN)	C(C[3,5,5]C[3,5,5,6]2O[5,5])(NHS)(H)2	H(CC[3,5,5]HN)	H(CC[3,5,5]HN)	107.8100	0.000	1	107.8100	0.000	1	107.8100	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3,5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5]C[3]C[5])(CC[6a]O)(H)2	H(CC[3,5]CH)	H(CC[3,5]CH)	C(C[3,5]C[3,5]C[3]C[5])(CC[6a]O)(H)2	H(CC[3,5]CH)	H(CC[3,5]CH)	107.3990	0.000	1	107.3990	0.000	1	107.3990	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3,5]-4:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5]2O[3])(C[5]C[5]2)(H)2	H(CC[3,5]C[5]H)	H(CC[3,5]C[5]H)	C(C[3,5]C[3,5]2O[3])(C[5]C[5]2)(H)2	H(CC[3,5]C[5]H)	H(CC[3,5]C[5]H)	109.4500	0.000	1	109.4500	0.000	1	109.4500	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[6]O[3])(CCH)(H)2	H(CC[3,6]CH)	H(CC[3,6]CH)	C(C[3,6]C[3,6]C[6]O[3])(CCH)(H)2	H(CC[3,6]CH)	H(CC[3,6]CH)	107.0580	1.444	2	107.0580	2.085	2	107.0580	2.085	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[6]O[3])(C[6]C[6]2)(H)2	H(CC[3,6]C[6]H)	H(CC[3,6]C[6]H)	C(C[3,6]C[3,6]C[6]O[3])(C[6]C[6]2)(H)2	H(CC[3,6]C[6]H)	H(CC[3,6]C[6]H)	107.7940	0.000	1	107.7940	0.000	1	107.7940	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,5,6,6]2C[6a])(COO)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3,5,6,6]2C[6a])(COO)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.9660	0.000	1	107.9660	0.000	1	108.2699	1.044	24	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,5,6]2C)(CCO)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3,5,6]2C)(CCO)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.8880	0.000	1	107.8880	0.000	1	108.2699	1.044	24	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,6]2C)(COO)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3,6]2C)(COO)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.5490	0.000	1	107.5490	0.000	1	108.2699	1.044	24	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2C)(CHO)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2C)(CHO)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.8380	0.000	1	107.8380	0.000	1	108.2699	1.044	24	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2C)(CNO)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2C)(CNO)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.6860	0.091	3	107.6860	0.008	3	108.2699	1.044	24	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2C)(COO)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2C)(COO)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.6405	0.012	2	107.6405	0.000	2	108.2699	1.044	24	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(CCH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2H)(CCH)(H)2	H(CC[3]CH)	H(CC[3]CH)	108.0473	0.251	3	108.0473	0.063	3	108.2699	1.044	24	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(CCO)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2H)(CCO)(H)2	H(CC[3]CH)	H(CC[3]CH)	108.2725	0.446	2	108.2725	0.199	2	108.2699	1.044	24	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(CC[6a]C)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2H)(CC[6a]C)(H)2	H(CC[3]CH)	H(CC[3]CH)	108.3893	0.770	4	108.3893	0.593	4	108.2699	1.044	24	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(COO)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2H)(COO)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.8525	0.104	2	107.8525	0.011	2	108.2699	1.044	24	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]N[3]H)(CCH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]N[3]H)(CCH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.7750	0.000	1	107.7750	0.000	1	108.2699	1.044	24	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(COO)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]O[3]H)(COO)(H)2	H(CC[3]CH)	H(CC[3]CH)	111.2010	0.949	2	111.2010	0.900	2	108.2699	1.044	24	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[6a]C[3]N[3])(CNS)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[6a]C[3]N[3])(CNS)(H)2	H(CC[3]CH)	H(CC[3]CH)	108.7710	0.000	1	108.7710	0.000	1	108.2699	1.044	24	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,5]O[3]H)(C[6]C[6]2)(H)2	H(CC[3]C[6]H)	H(CC[3]C[6]H)	C(C[3]C[3,5]O[3]H)(C[6]C[6]2)(H)2	H(CC[3]C[6]H)	H(CC[3]C[6]H)	107.0700	0.000	2	107.0700	0.000	2	107.1990	0.050	3	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(C[6]C[6]2)(H)2	H(CC[3]C[6]H)	H(CC[3]C[6]H)	C(C[3]C[3]2H)(C[6]C[6]2)(H)2	H(CC[3]C[6]H)	H(CC[3]C[6]H)	107.4570	0.000	1	107.4570	0.000	1	107.1990	0.050	3	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[3]B[5]C[3]2)(C[6a]C[6a]2)(H)2	H(CC[6a]C[3]H)	H(CC[6a]C[3]H)	C(C[3]B[5]C[3]2)(C[6a]C[6a]2)(H)2	H(CC[6a]C[3]H)	H(CC[6a]C[3]H)	107.6930	0.000	1	107.6930	0.000	1	107.9680	0.459	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,6]2Br)(C[6a]C[6a]2)(H)2	H(CC[6a]C[3]H)	H(CC[6a]C[3]H)	C(C[3]C[3,6]2Br)(C[6a]C[6a]2)(H)2	H(CC[6a]C[3]H)	H(CC[6a]C[3]H)	107.4850	0.000	1	107.4850	0.000	1	107.9680	0.459	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,6]2H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[3]H)	H(CC[6a]C[3]H)	C(C[3]C[3,6]2H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[3]H)	H(CC[6a]C[3]H)	107.9070	0.000	1	107.9070	0.000	1	107.9680	0.459	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[3]H)	H(CC[6a]C[3]H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[3]H)	H(CC[6a]C[3]H)	108.6083	0.730	3	108.6083	0.532	3	107.9680	0.459	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[3]H)	H(CC[6a]C[3]H)	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[3]H)	H(CC[6a]C[3]H)	107.4170	0.004	2	107.4170	0.000	2	107.9680	0.459	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,5]C[3]H)(NHS)(H)2	H(CC[3]HN)	H(CC[3]HN)	C(C[3]C[3,5]C[3]H)(NHS)(H)2	H(CC[3]HN)	H(CC[3]HN)	108.1090	0.000	1	108.1090	0.000	1	107.9861	0.131	27	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(NCC)(H)2	H(CC[3]HN)	H(CC[3]HN)	C(C[3]C[3]2H)(NCC)(H)2	H(CC[3]HN)	H(CC[3]HN)	107.7323	0.339	3	107.7323	0.115	3	107.9861	0.131	27	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(NCS)(H)2	H(CC[3]HN)	H(CC[3]HN)	C(C[3]C[3]2H)(NCS)(H)2	H(CC[3]HN)	H(CC[3]HN)	107.9390	0.000	1	107.9390	0.000	1	107.9861	0.131	27	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(NC[6]H)(H)2	H(CC[3]HN)	H(CC[3]HN)	C(C[3]C[3]2H)(NC[6]H)(H)2	H(CC[3]HN)	H(CC[3]HN)	108.0735	0.032	4	108.0735	0.001	4	107.9861	0.131	27	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(NC[6a]H)(H)2	H(CC[3]HN)	H(CC[3]HN)	C(C[3]C[3]2H)(NC[6a]H)(H)2	H(CC[3]HN)	H(CC[3]HN)	108.1725	0.025	2	108.1725	0.001	2	107.9861	0.131	27	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]N[3]H)(NCC)(H)2	H(CC[3]HN)	H(CC[3]HN)	C(C[3]C[3]N[3]H)(NCC)(H)2	H(CC[3]HN)	H(CC[3]HN)	108.1970	0.000	1	108.1970	0.000	1	107.9861	0.131	27	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]N[3]H)(NCH)(H)2	H(CC[3]HN)	H(CC[3]HN)	C(C[3]C[3]N[3]H)(NCH)(H)2	H(CC[3]HN)	H(CC[3]HN)	107.5270	0.000	1	107.5270	0.000	1	107.9861	0.131	27	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]N[3]H)(NC[6a]H)(H)2	H(CC[3]HN)	H(CC[3]HN)	C(C[3]C[3]N[3]H)(NC[6a]H)(H)2	H(CC[3]HN)	H(CC[3]HN)	107.7810	0.000	1	107.7810	0.000	1	107.9861	0.131	27	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]N[3]H)(NHS)(H)2	H(CC[3]HN)	H(CC[3]HN)	C(C[3]C[3]N[3]H)(NHS)(H)2	H(CC[3]HN)	H(CC[3]HN)	108.4285	0.692	2	108.4285	0.479	2	107.9861	0.131	27	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]C)(NC[6a]C)(H)2	H(CC[3]HN)	H(CC[3]HN)	C(C[3]C[3]O[3]C)(NC[6a]C)(H)2	H(CC[3]HN)	H(CC[3]HN)	107.5570	0.000	1	107.5570	0.000	1	107.9861	0.131	27	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(NCS)(H)2	H(CC[3]HN)	H(CC[3]HN)	C(C[3]C[3]O[3]H)(NCS)(H)2	H(CC[3]HN)	H(CC[3]HN)	108.5170	0.823	2	108.5170	0.677	2	107.9861	0.131	27	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(NC[5a]S)(H)2	H(CC[3]HN)	H(CC[3]HN)	C(C[3]C[3]O[3]H)(NC[5a]S)(H)2	H(CC[3]HN)	H(CC[3]HN)	108.0340	0.000	1	108.0340	0.000	1	107.9861	0.131	27	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(NC[6a]S)(H)2	H(CC[3]HN)	H(CC[3]HN)	C(C[3]C[3]O[3]H)(NC[6a]S)(H)2	H(CC[3]HN)	H(CC[3]HN)	107.7467	0.077	4	107.7467	0.006	4	107.9861	0.131	27	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]S[3]H)(NHS)(H)2	H(CC[3]HN)	H(CC[3]HN)	C(C[3]C[3]S[3]H)(NHS)(H)2	H(CC[3]HN)	H(CC[3]HN)	107.9170	0.000	2	107.9170	0.000	2	107.9861	0.131	27	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[3]Se[3]H[3]H)(NPdC)(H)2	H(CC[3]HN)	H(CC[3]HN)	C(C[3]Se[3]H[3]H)(NPdC)(H)2	H(CC[3]HN)	H(CC[3]HN)	107.9340	0.000	1	107.9340	0.000	1	107.9861	0.131	27	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(N[5]C[5]2)(H)2	H(CC[3]N[5]H)	H(CC[3]N[5]H)	C(C[3]C[3]2H)(N[5]C[5]2)(H)2	H(CC[3]N[5]H)	H(CC[3]N[5]H)	108.1080	0.038	3	108.1080	0.001	3	108.1564	0.701	5	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(N[5]C[5]2)(H)2	H(CC[3]N[5]H)	H(CC[3]N[5]H)	C(C[3]C[3]O[3]H)(N[5]C[5]2)(H)2	H(CC[3]N[5]H)	H(CC[3]N[5]H)	109.4090	0.000	1	109.4090	0.000	1	108.1564	0.701	5	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(N[5]C[5]S[5])(H)2	H(CC[3]N[5]H)	H(CC[3]N[5]H)	C(C[3]C[3]O[3]H)(N[5]C[5]S[5])(H)2	H(CC[3]N[5]H)	H(CC[3]N[5]H)	107.0490	0.000	1	107.0490	0.000	1	108.1564	0.701	5	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3]-4:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(N[6]C[6]2)(H)2	H(CC[3]N[6]H)	H(CC[3]N[6]H)	C(C[3]C[3]O[3]H)(N[6]C[6]2)(H)2	H(CC[3]N[6]H)	H(CC[3]N[6]H)	107.7500	0.000	1	107.7500	0.000	1	107.7500	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3x4,3x6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[3x4,3x6]C[3x4,3x6]3)(NCH)(H)2	H(CC[3x4,3x6]HN)	H(CC[3x4,3x6]HN)	C(C[3x4,3x6]C[3x4,3x6]3)(NCH)(H)2	H(CC[3x4,3x6]HN)	H(CC[3x4,3x6]HN)	107.9785	0.165	2	107.9785	0.027	2	107.9785	0.027	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3x4,3x6]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[3x4,3x6]C[3x4,3x6]3)(N[5]C[5]2)(H)2	H(CC[3x4,3x6]N[5]H)	H(CC[3x4,3x6]N[5]H)	C(C[3x4,3x6]C[3x4,3x6]3)(N[5]C[5]2)(H)2	H(CC[3x4,3x6]N[5]H)	H(CC[3x4,3x6]N[5]H)	107.9370	0.000	1	107.9370	0.000	1	107.9370	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3x4,3x6]-4:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[3x4,3x6]C[3x4,3x6]3)(N[5a]C[5a]2)(H)2	H(CC[3x4,3x6]N[5a]H)	H(CC[3x4,3x6]N[5a]H)	C(C[3x4,3x6]C[3x4,3x6]3)(N[5a]C[5a]2)(H)2	H(CC[3x4,3x6]N[5a]H)	H(CC[3x4,3x6]N[5a]H)	107.9955	0.046	2	107.9955	0.002	2	107.9955	0.002	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3x4]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[3x4]C[4,4]3)(CC[6a]O)(H)2	H(CC[3x4]CH)	H(CC[3x4]CH)	C(C[3x4]C[4,4]3)(CC[6a]O)(H)2	H(CC[3x4]CH)	H(CC[3x4]CH)	107.4190	0.000	1	107.4190	0.000	1	107.4190	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3x4]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[3x4]C[4,4]3)(C[6a]C[6a]2)(H)2	H(CC[3x4]C[6a]H)	H(CC[3x4]C[6a]H)	C(C[3x4]C[4,4]3)(C[6a]C[6a]2)(H)2	H(CC[3x4]C[6a]H)	H(CC[3x4]C[6a]H)	109.9750	0.000	1	109.9750	0.000	1	109.9750	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3x5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])(CClC)(H)2	H(CC[3x5,6]CH)	H(CC[3x5,6]CH)	C(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])(CClC)(H)2	H(CC[3x5,6]CH)	H(CC[3x5,6]CH)	107.6360	0.000	1	107.6360	0.000	1	107.6360	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[3x6]C[6,6]2)(CCH)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	C(C[3x6]C[3x6]C[6,6]2)(CCH)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	107.6090	0.000	1	107.6090	0.000	1	107.8811	1.661	44	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[5,6,6]C[6,6]2)(CCH)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	C(C[3x6]C[5,6,6]C[6,6]2)(CCH)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	107.4180	0.118	4	107.4180	0.014	4	107.8811	1.661	44	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]3)(CCH)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	C(C[3x6]C[6,6]3)(CCH)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	107.0832	1.186	13	107.0832	1.407	13	107.8811	1.661	44	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]3)(CCO)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	C(C[3x6]C[6,6]3)(CCO)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	107.5575	0.081	2	107.5575	0.007	2	107.8811	1.661	44	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]3)(CC[5]O)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	C(C[3x6]C[6,6]3)(CC[5]O)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	107.3490	0.000	1	107.3490	0.000	1	107.8811	1.661	44	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]3)(CC[6a]O)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	C(C[3x6]C[6,6]3)(CC[6a]O)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	109.0083	0.862	8	109.0083	0.743	8	107.8811	1.661	44	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]3)(CNO)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	C(C[3x6]C[6,6]3)(CNO)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	107.6562	0.177	5	107.6562	0.031	5	107.8811	1.661	44	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]3)(COO)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	C(C[3x6]C[6,6]3)(COO)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	108.4597	1.690	10	108.4597	2.855	10	107.8811	1.661	44	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]2N[6,6])(C[5a]C[5a]2)(H)2	H(CC[3x6]C[5a]H)	H(CC[3x6]C[5a]H)	C(C[3x6]C[6,6]2N[6,6])(C[5a]C[5a]2)(H)2	H(CC[3x6]C[5a]H)	H(CC[3x6]C[5a]H)	106.8440	0.000	1	106.8440	0.000	1	106.8440	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	H(CC[3x6]C[6a]H)	H(CC[3x6]C[6a]H)	C(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	H(CC[3x6]C[6a]H)	H(CC[3x6]C[6a]H)	109.0533	3.730	3	109.0533	13.911	3	108.1860	5.351	7	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]2)(H)2	H(CC[3x6]C[6a]H)	H(CC[3x6]C[6a]H)	C(C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]2)(H)2	H(CC[3x6]C[6a]H)	H(CC[3x6]C[6a]H)	107.9880	0.000	1	107.9880	0.000	1	108.1860	5.351	7	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	H(CC[3x6]C[6a]H)	H(CC[3x6]C[6a]H)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	H(CC[3x6]C[6a]H)	H(CC[3x6]C[6a]H)	107.3847	0.174	3	107.3847	0.030	3	108.1860	5.351	7	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6,6a]2O[6,6])(NCH)(H)2	H(CC[3x6]HN)	H(CC[3x6]HN)	C(C[3x6]C[6,6,6a]2O[6,6])(NCH)(H)2	H(CC[3x6]HN)	H(CC[3x6]HN)	107.7018	0.092	4	107.7018	0.009	4	107.6823	0.007	7	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]3)(NCC)(H)2	H(CC[3x6]HN)	H(CC[3x6]HN)	C(C[3x6]C[6,6]3)(NCC)(H)2	H(CC[3x6]HN)	H(CC[3x6]HN)	107.5600	0.000	1	107.5600	0.000	1	107.6823	0.007	7	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]3)(NCuC)(H)2	H(CC[3x6]HN)	H(CC[3x6]HN)	C(C[3x6]C[6,6]3)(NCuC)(H)2	H(CC[3x6]HN)	H(CC[3x6]HN)	107.7045	0.043	2	107.7045	0.002	2	107.6823	0.007	7	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]3)(N[5]C[5]2)(H)2	H(CC[3x6]N[5]H)	H(CC[3x6]N[5]H)	C(C[3x6]C[6,6]3)(N[5]C[5]2)(H)2	H(CC[3x6]N[5]H)	H(CC[3x6]N[5]H)	107.5350	0.000	1	107.5350	0.000	1	107.5080	0.001	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[3x6]O[6,6]3)(N[5]C[5]2)(H)2	H(CC[3x6]N[5]H)	H(CC[3x6]N[5]H)	C(C[3x6]O[6,6]3)(N[5]C[5]2)(H)2	H(CC[3x6]N[5]H)	H(CC[3x6]N[5]H)	107.4810	0.000	1	107.4810	0.000	1	107.5080	0.001	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[3x6]-4:P-3:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]3)(PCC)(H)2	H(CC[3x6]HP)	H(CC[3x6]HP)	C(C[3x6]C[6,6]3)(PCC)(H)2	H(CC[3x6]HP)	H(CC[3x6]HP)	107.3380	0.000	1	107.3380	0.000	1	107.3380	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4,5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[4,5,6]C[4,5,5,6]C[4,5,6]C[5,6])(CCH)(H)2	H(CC[4,5,6]CH)	H(CC[4,5,6]CH)	C(C[4,5,6]C[4,5,5,6]C[4,5,6]C[5,6])(CCH)(H)2	H(CC[4,5,6]CH)	H(CC[4,5,6]CH)	107.9835	0.158	2	107.9835	0.025	2	107.9835	0.025	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4,5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[4,5]C[4]C[5])(CCH)(H)2	H(CC[4,5]CH)	H(CC[4,5]CH)	C(C[4,5]C[4,5]C[4]C[5])(CCH)(H)2	H(CC[4,5]CH)	H(CC[4,5]CH)	107.6250	0.000	1	107.6250	0.000	1	107.6250	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4,5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[4,5]C[4,6]N[5])(C[6a]C[6a]2)(H)2	H(CC[4,5]C[6a]H)	H(CC[4,5]C[6a]H)	C(C[4,5]C[4,5]C[4,6]N[5])(C[6a]C[6a]2)(H)2	H(CC[4,5]C[6a]H)	H(CC[4,5]C[6a]H)	107.4790	0.124	2	107.4790	0.015	2	107.5410	0.104	4	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4,5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[4,5]C[4]O[5])(C[6a]C[6a]2)(H)2	H(CC[4,5]C[6a]H)	H(CC[4,5]C[6a]H)	C(C[4,5]C[4,5]C[4]O[5])(C[6a]C[6a]2)(H)2	H(CC[4,5]C[6a]H)	H(CC[4,5]C[6a]H)	107.9780	0.000	1	107.9780	0.000	1	107.5410	0.104	4	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4,5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[5,6a]C[4,5]C[4])(C[6a]C[6a]2)(H)2	H(CC[4,5]C[6a]H)	H(CC[4,5]C[6a]H)	C(C[4,5]C[5,6a]C[4,5]C[4])(C[6a]C[6a]2)(H)2	H(CC[4,5]C[6a]H)	H(CC[4,5]C[6a]H)	107.2280	0.000	1	107.2280	0.000	1	107.5410	0.104	4	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4,6,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[4,6,6]C[4,6]2C[6,6])(CCH)(H)2	H(CC[4,6,6]CH)	H(CC[4,6,6]CH)	C(C[4,6,6]C[4,6]2C[6,6])(CCH)(H)2	H(CC[4,6,6]CH)	H(CC[4,6,6]CH)	107.6095	0.069	2	107.6095	0.005	2	107.6095	0.005	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[4,6]C[4,6]2C[6])(C[6a]C[6a]2)(H)2	H(CC[4,6]C[6a]H)	H(CC[4,6]C[6a]H)	C(C[4,6]C[4,6]2C[6])(C[6a]C[6a]2)(H)2	H(CC[4,6]C[6a]H)	H(CC[4,6]C[6a]H)	106.8010	0.000	1	106.8010	0.000	1	106.8010	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4,6]-4:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[4,6]C[4,6]2C[6])(N[5a]C[5a]2)(H)2	H(CC[4,6]N[5a]H)	H(CC[4,6]N[5a]H)	C(C[4,6]C[4,6]2C[6])(N[5a]C[5a]2)(H)2	H(CC[4,6]N[5a]H)	H(CC[4,6]N[5a]H)	108.1120	0.085	2	108.1120	0.007	2	108.1120	0.007	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,4]C[4]H)(CCH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4,4]C[4]H)(CCH)(H)2	H(CC[4]CH)	H(CC[4]CH)	101.1796	5.607	2	101.1796	31.434	2	107.0884	5.451	22	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,4]C[4]H)(CSiC)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4,4]C[4]H)(CSiC)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.3970	0.000	1	107.3970	0.000	1	107.0884	5.451	22	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,5]C[4,6]C)(CCO)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4,5]C[4,6]C)(CCO)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.2860	0.000	1	107.2860	0.000	1	107.0884	5.451	22	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,5]C[4]H)(CCO)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4,5]C[4]H)(CCO)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.7970	0.000	1	107.7970	0.000	1	107.0884	5.451	22	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6]C[4]H)(CCH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4,6]C[4]H)(CCH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.3470	0.000	1	107.3470	0.000	1	107.0884	5.451	22	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2C)(CCH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2C)(CCH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.7705	0.081	2	107.7705	0.007	2	107.0884	5.451	22	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2H)(CCH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2H)(CCH)(H)2	H(CC[4]CH)	H(CC[4]CH)	108.1040	0.000	1	108.1040	0.000	1	107.0884	5.451	22	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2H)(CNO)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2H)(CNO)(H)2	H(CC[4]CH)	H(CC[4]CH)	108.0443	0.288	3	108.0443	0.083	3	107.0884	5.451	22	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2H)(COO)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2H)(COO)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.6037	0.260	4	107.6037	0.068	4	107.0884	5.451	22	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2N[5])(COO)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2N[5])(COO)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.4810	0.000	1	107.4810	0.000	1	107.0884	5.451	22	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]N[4]H)(COO)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]N[4]H)(COO)(H)2	H(CC[4]CH)	H(CC[4]CH)	109.4840	0.000	1	109.4840	0.000	1	107.0884	5.451	22	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[6a]C[4]2)(CNO)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[6a]C[4]2)(CNO)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.2303	0.431	3	107.2303	0.186	3	107.0884	5.451	22	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[6a]N[4]2)(CCH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[6a]N[4]2)(CCH)(H)2	H(CC[4]CH)	H(CC[4]CH)	106.9100	0.000	1	106.9100	0.000	1	107.0884	5.451	22	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,5]C[4]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[4]H)	H(CC[6a]C[4]H)	C(C[4]C[4,5]C[4]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[4]H)	H(CC[6a]C[4]H)	107.9600	0.000	1	107.9600	0.000	1	107.8900	0.489	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6]C[4]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[4]H)	H(CC[6a]C[4]H)	C(C[4]C[4,6]C[4]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[4]H)	H(CC[6a]C[4]H)	107.8280	0.000	1	107.8280	0.000	1	107.8900	0.489	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6]O[4]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[4]H)	H(CC[6a]C[4]H)	C(C[4]C[4,6]O[4]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[4]H)	H(CC[6a]C[4]H)	107.8843	0.041	3	107.8843	0.002	3	107.8900	0.489	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6a]C[4]O)(C[6a]C[6a]2)(H)2	H(CC[6a]C[4]H)	H(CC[6a]C[4]H)	C(C[4]C[4,6a]C[4]O)(C[6a]C[6a]2)(H)2	H(CC[6a]C[4]H)	H(CC[6a]C[4]H)	107.5190	0.000	1	107.5190	0.000	1	107.8900	0.489	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2N[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[4]H)	H(CC[6a]C[4]H)	C(C[4]C[4]2N[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[4]H)	H(CC[6a]C[4]H)	108.8380	1.773	2	108.8380	3.145	2	107.8900	0.489	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]O[4]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[4]H)	H(CC[6a]C[4]H)	C(C[4]C[4]O[4]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[4]H)	H(CC[6a]C[4]H)	107.5695	0.319	4	107.5695	0.102	4	107.8900	0.489	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]P[4]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[4]H)	H(CC[6a]C[4]H)	C(C[4]C[4]P[4]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[4]H)	H(CC[6a]C[4]H)	107.6560	0.000	1	107.6560	0.000	1	107.8900	0.489	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,3x6]C[4]H)(NCH)(H)2	H(CC[4]HN)	H(CC[4]HN)	C(C[4]C[4,3x6]C[4]H)(NCH)(H)2	H(CC[4]HN)	H(CC[4]HN)	108.0120	0.000	1	108.0120	0.000	1	108.2609	3.505	14	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6,6]C[4]H)(NCH)(H)2	H(CC[4]HN)	H(CC[4]HN)	C(C[4]C[4,6,6]C[4]H)(NCH)(H)2	H(CC[4]HN)	H(CC[4]HN)	105.2430	0.000	1	105.2430	0.000	1	108.2609	3.505	14	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6]C[4]H)(NCH)(H)2	H(CC[4]HN)	H(CC[4]HN)	C(C[4]C[4,6]C[4]H)(NCH)(H)2	H(CC[4]HN)	H(CC[4]HN)	107.5720	0.000	1	107.5720	0.000	1	108.2609	3.505	14	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2C)(NTcC)(H)2	H(CC[4]HN)	H(CC[4]HN)	C(C[4]C[4]2C)(NTcC)(H)2	H(CC[4]HN)	H(CC[4]HN)	112.2745	1.211	2	112.2745	1.467	2	108.2609	3.505	14	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2H)(NCH)(H)2	H(CC[4]HN)	H(CC[4]HN)	C(C[4]C[4]2H)(NCH)(H)2	H(CC[4]HN)	H(CC[4]HN)	108.0790	0.000	1	108.0790	0.000	1	108.2609	3.505	14	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2H)(NC[5]C)(H)2	H(CC[4]HN)	H(CC[4]HN)	C(C[4]C[4]2H)(NC[5]C)(H)2	H(CC[4]HN)	H(CC[4]HN)	107.8780	0.000	1	107.8780	0.000	1	108.2609	3.505	14	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2H)(NC[6a]C)(H)2	H(CC[4]HN)	H(CC[4]HN)	C(C[4]C[4]2H)(NC[6a]C)(H)2	H(CC[4]HN)	H(CC[4]HN)	107.5300	0.000	1	107.5300	0.000	1	108.2609	3.505	14	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2N)(NCH)(H)2	H(CC[4]HN)	H(CC[4]HN)	C(C[4]C[4]2N)(NCH)(H)2	H(CC[4]HN)	H(CC[4]HN)	107.6883	0.080	3	107.6883	0.006	3	108.2609	3.505	14	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]N[4]H)(NCH)(H)2	H(CC[4]HN)	H(CC[4]HN)	C(C[4]C[4]N[4]H)(NCH)(H)2	H(CC[4]HN)	H(CC[4]HN)	107.5870	0.000	1	107.5870	0.000	1	108.2609	3.505	14	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[6a]C[4]2)(NCS)(H)2	H(CC[4]HN)	H(CC[4]HN)	C(C[4]C[6a]C[4]2)(NCS)(H)2	H(CC[4]HN)	H(CC[4]HN)	108.0690	0.049	2	108.0690	0.002	2	108.2609	3.505	14	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2H)(N[5]C[5]2)(H)2	H(CC[4]N[5]H)	H(CC[4]N[5]H)	C(C[4]C[4]2H)(N[5]C[5]2)(H)2	H(CC[4]N[5]H)	H(CC[4]N[5]H)	107.5460	0.000	1	107.5460	0.000	1	107.5460	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[4]-4:S-3:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2C)(SFe2)(H)2	H(CC[4]HS)	H(CC[4]HS)	C(C[4]C[4]2C)(SFe2)(H)2	H(CC[4]HS)	H(CC[4]HS)	107.1840	0.083	2	107.1840	0.007	2	107.1840	0.007	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[3x5,6]C[5,6]C[5])(COO)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[3x5,6]C[5,6]C[5])(COO)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	107.4030	0.000	1	107.4030	0.000	1	107.6055	0.093	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6]2C[5])(CCC)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,6]2C[5])(CCC)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	107.5570	0.000	1	107.5570	0.000	1	107.6055	0.093	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6]2C[5])(CCH)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,6]2C[5])(CCH)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	107.5260	0.038	4	107.5260	0.001	4	107.6055	0.093	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CCC)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CCC)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	107.2830	0.116	2	107.2830	0.013	2	107.6055	0.093	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(CCH)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5]C[5,6]2)(CCH)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	107.5100	0.000	1	107.5100	0.000	1	107.6055	0.093	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(CBrC)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(CBrC)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	107.3970	0.000	1	107.3970	0.000	1	107.6055	0.093	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(CCC)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6]2O[5,5])(CCC)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	108.3095	0.001	2	108.3095	0.000	2	107.6055	0.093	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	107.7048	0.107	5	107.7048	0.011	5	107.6055	0.093	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CCO)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CCO)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	107.2190	0.000	1	107.2190	0.000	1	107.6055	0.093	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(C[6a]C[6a]2)(H)2	H(CC[5,5,6]C[6a]H)	H(CC[5,5,6]C[6a]H)	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(C[6a]C[6a]2)(H)2	H(CC[5,5,6]C[6a]H)	H(CC[5,5,6]C[6a]H)	107.5630	0.000	1	107.5630	0.000	1	107.5630	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(NCS)(H)2	H(CC[5,5,6]HN)	H(CC[5,5,6]HN)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(NCS)(H)2	H(CC[5,5,6]HN)	H(CC[5,5,6]HN)	107.8357	0.261	3	107.8357	0.068	3	107.8786	0.659	9	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(NCC)(H)2	H(CC[5,5,6]HN)	H(CC[5,5,6]HN)	C(C[5,5,6]C[5,5]C[5,6]2)(NCC)(H)2	H(CC[5,5,6]HN)	H(CC[5,5,6]HN)	107.3920	0.000	1	107.3920	0.000	1	107.8786	0.659	9	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(NC[6]H)(H)2	H(CC[5,5,6]HN)	H(CC[5,5,6]HN)	C(C[5,5,6]C[5,5]C[5,6]2)(NC[6]H)(H)2	H(CC[5,5,6]HN)	H(CC[5,5,6]HN)	109.4250	0.000	1	109.4250	0.000	1	107.8786	0.659	9	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(NHS)(H)2	H(CC[5,5,6]HN)	H(CC[5,5,6]HN)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(NHS)(H)2	H(CC[5,5,6]HN)	H(CC[5,5,6]HN)	108.0650	0.298	3	108.0650	0.089	3	107.8786	0.659	9	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(NHS)(H)2	H(CC[5,5,6]HN)	H(CC[5,5,6]HN)	C(C[5,5,6]C[5,6]2O[5,5])(NHS)(H)2	H(CC[5,5,6]HN)	H(CC[5,5,6]HN)	106.3880	0.000	1	106.3880	0.000	1	107.8786	0.659	9	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(N[5]C[5]2)(H)2	H(CC[5,5,6]N[5]H)	H(CC[5,5,6]N[5]H)	C(C[5,5,6]C[5,6]2O[5,5])(N[5]C[5]2)(H)2	H(CC[5,5,6]N[5]H)	H(CC[5,5,6]N[5]H)	107.7310	0.044	2	107.7310	0.002	2	107.7310	0.002	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:S-3:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(SC[6a]O)(H)2	H(CC[5,5,6]HS)	H(CC[5,5,6]HS)	C(C[5,5,6]C[5,5]C[5,6]2)(SC[6a]O)(H)2	H(CC[5,5,6]HS)	H(CC[5,5,6]HS)	109.7770	0.397	2	109.7770	0.158	2	109.7770	0.158	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[3x5]C[5]2)(CC[6a]O)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[3x5]C[5]2)(CC[6a]O)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.6320	0.000	1	107.6320	0.000	1	107.3441	0.876	15	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[4,3x5]C[5]2)(COO)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[4,3x5]C[5]2)(COO)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	104.1570	0.000	1	104.1570	0.000	1	107.3441	0.876	15	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6]2O)(CCH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[5,5,6]2O)(CCH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.7350	0.000	1	107.7350	0.000	1	107.3441	0.876	15	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6]C[5]2)(CC[6a]O)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[5,5,6]C[5]2)(CC[6a]O)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.6440	0.007	2	107.6440	0.000	2	107.3441	0.876	15	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]2C[5])(CCH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]2C[5])(CCH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	108.1080	0.553	2	108.1080	0.306	2	107.3441	0.876	15	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(CCH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]2)(CCH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.2170	0.000	1	107.2170	0.000	1	107.3441	0.876	15	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(CCC)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]O[5])(CCC)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.2590	0.000	1	107.2590	0.000	1	107.3441	0.876	15	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]O[5]2)(CCO)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]O[5]2)(CCO)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.3830	0.000	1	107.3830	0.000	1	107.3441	0.876	15	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(CC[6a]O)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[5,6a]C[5,5]C[5])(CC[6a]O)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.3040	0.000	1	107.3040	0.000	1	107.3441	0.876	15	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(COO)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[5,6a]C[5,5]C[5])(COO)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.4030	0.000	1	107.4030	0.000	1	107.3441	0.876	15	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,5]N[5,5]C[5]2)(CCH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]N[5,5]C[5]2)(CCH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.5223	0.216	3	107.5223	0.047	3	107.3441	0.876	15	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(C[5a]C[5a]O[5a])(H)2	H(CC[5,5]C[5a]H)	H(CC[5,5]C[5a]H)	C(C[5,5]C[5,6a]C[5,5]C[5])(C[5a]C[5a]O[5a])(H)2	H(CC[5,5]C[5a]H)	H(CC[5,5]C[5a]H)	107.4890	0.000	1	107.4890	0.000	1	107.5270	0.003	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,6a]N[5,5]O[5])(C[5a]C[5a]O[5a])(H)2	H(CC[5,5]C[5a]H)	H(CC[5,5]C[5a]H)	C(C[5,5]C[5,6a]N[5,5]O[5])(C[5a]C[5a]O[5a])(H)2	H(CC[5,5]C[5a]H)	H(CC[5,5]C[5a]H)	107.5650	0.000	1	107.5650	0.000	1	107.5270	0.003	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(C[6a]C[6a]2)(H)2	H(CC[5,5]C[6a]H)	H(CC[5,5]C[6a]H)	C(C[5,5]C[5,5,6]2C)(C[6a]C[6a]2)(H)2	H(CC[5,5]C[6a]H)	H(CC[5,5]C[6a]H)	107.0166	0.145	7	107.0166	0.021	7	107.2419	0.199	15	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(H)2	H(CC[5,5]C[6a]H)	H(CC[5,5]C[6a]H)	C(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(H)2	H(CC[5,5]C[6a]H)	H(CC[5,5]C[6a]H)	107.5840	0.219	2	107.5840	0.048	2	107.2419	0.199	15	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	H(CC[5,5]C[6a]H)	H(CC[5,5]C[6a]H)	C(C[5,5]C[5,5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	H(CC[5,5]C[6a]H)	H(CC[5,5]C[6a]H)	107.6330	0.023	2	107.6330	0.001	2	107.2419	0.199	15	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)2	H(CC[5,5]C[6a]H)	H(CC[5,5]C[6a]H)	C(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)2	H(CC[5,5]C[6a]H)	H(CC[5,5]C[6a]H)	107.1260	0.000	1	107.1260	0.000	1	107.2419	0.199	15	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]2)(H)2	H(CC[5,5]C[6a]H)	H(CC[5,5]C[6a]H)	C(C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]2)(H)2	H(CC[5,5]C[6a]H)	H(CC[5,5]C[6a]H)	108.2560	0.000	1	108.2560	0.000	1	107.2419	0.199	15	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)2	H(CC[5,5]C[6a]H)	H(CC[5,5]C[6a]H)	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)2	H(CC[5,5]C[6a]H)	H(CC[5,5]C[6a]H)	106.8480	0.604	2	106.8480	0.365	2	107.2419	0.199	15	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5,5]N[5,5]C[5]2)(NCC)(H)2	H(CC[5,5]HN)	H(CC[5,5]HN)	C(C[5,5]N[5,5]C[5]2)(NCC)(H)2	H(CC[5,5]HN)	H(CC[5,5]HN)	107.6590	0.000	1	107.6590	0.000	1	108.8250	1.028	5	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5,5]N[5,5]C[5]2)(NCH)(H)2	H(CC[5,5]HN)	H(CC[5,5]HN)	C(C[5,5]N[5,5]C[5]2)(NCH)(H)2	H(CC[5,5]HN)	H(CC[5,5]HN)	109.1165	0.897	4	109.1165	0.805	4	108.8250	1.028	5	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5]-4:O-3:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]O[5]2)(OPtH)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]O[5]2)(OPtH)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	108.3050	0.000	1	108.3050	0.000	1	108.2930	0.003	3	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,5]-4:O-3:H-1:H-1:	C-4:	C-4:	C(C[5,5]N[5,5]C[5]2)(OFeH)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	C(C[5,5]N[5,5]C[5]2)(OFeH)(H)2	H(CC[5,5]HO)	H(CC[5,5]HO)	108.2870	0.074	2	108.2870	0.005	2	108.2930	0.003	3	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,3x6]C[6,6]O[5])(CCH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,3x6]C[6,6]O[5])(CCH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	108.0930	0.000	1	108.0930	0.000	1	107.6160	0.057	21	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	107.6604	0.215	9	107.6604	0.046	9	107.6160	0.057	21	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CCH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CCH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	107.5225	0.524	2	107.5225	0.275	2	107.6160	0.057	21	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(CCH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(CCH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	107.5390	0.000	1	107.5390	0.000	1	107.6160	0.057	21	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(COO)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(COO)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	107.2780	0.000	1	107.2780	0.000	1	107.6160	0.057	21	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CCH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CCH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	107.6935	0.094	2	107.6935	0.009	2	107.6160	0.057	21	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(COO)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(COO)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	107.5300	0.126	5	107.5300	0.016	5	107.6160	0.057	21	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	H(CC[5,6,6]C[6a]H)	H(CC[5,6,6]C[6a]H)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	H(CC[5,6,6]C[6a]H)	H(CC[5,6,6]C[6a]H)	107.4946	0.663	11	107.4946	0.439	11	107.6617	0.665	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5a,6,6])(C[6a]C[6a]2)(H)2	H(CC[5,6,6]C[6a]H)	H(CC[5,6,6]C[6a]H)	C(C[5,6,6]C[5,6,6a]2C[5a,6,6])(C[6a]C[6a]2)(H)2	H(CC[5,6,6]C[6a]H)	H(CC[5,6,6]C[6a]H)	108.4827	1.486	3	108.4827	2.207	3	107.6617	0.665	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(C[6a]C[6a]2)(H)2	H(CC[5,6,6]C[6a]H)	H(CC[5,6,6]C[6a]H)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(C[6a]C[6a]2)(H)2	H(CC[5,6,6]C[6a]H)	H(CC[5,6,6]C[6a]H)	107.5700	0.118	3	107.5700	0.014	3	107.6617	0.665	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(C[6a]C[6a]2)(H)2	H(CC[5,6,6]C[6a]H)	H(CC[5,6,6]C[6a]H)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(C[6a]C[6a]2)(H)2	H(CC[5,6,6]C[6a]H)	H(CC[5,6,6]C[6a]H)	107.3120	0.000	1	107.3120	0.000	1	107.6617	0.665	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6]2)(N[6]C[6]2)(H)2	H(CC[5,6,6]N[6]H)	H(CC[5,6,6]N[6]H)	C(C[5,6,6]C[5,6,6]C[5,6]2)(N[6]C[6]2)(H)2	H(CC[5,6,6]N[6]H)	H(CC[5,6,6]N[6]H)	107.1985	0.182	2	107.1985	0.033	2	107.1985	0.033	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(CCH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(CCH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.6811	0.124	7	107.6811	0.015	7	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(CNO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(CNO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.6330	0.000	1	107.6330	0.000	1	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.6430	0.000	1	107.6430	0.000	1	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6,6]H)(COO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6,6]H)(COO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.8123	0.220	4	107.8123	0.048	4	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]O)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]O)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.5110	0.033	2	107.5110	0.001	2	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CCO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CCO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.6660	0.000	1	107.6660	0.000	1	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.2200	0.000	1	107.2200	0.000	1	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(COO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(COO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.5625	0.534	2	107.5625	0.285	2	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(CCH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5]C[6])(CCH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	106.9340	0.000	1	106.9340	0.000	1	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]N[5,5,6]H)(COO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]N[5,5,6]H)(COO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.7380	0.000	1	107.7380	0.000	1	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6,6]C[5,6a]C[6])(CCH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6,6]C[5,6a]C[6])(CCH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.6210	0.000	1	107.6210	0.000	1	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]2O)(CC[6a]O)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]2O)(CC[6a]O)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.2380	0.000	1	107.2380	0.000	1	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.6882	0.165	5	107.6882	0.027	5	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CCO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	106.9950	0.000	1	106.9950	0.000	1	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.7188	0.388	4	107.7188	0.150	4	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CNO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CNO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.1720	0.000	1	107.1720	0.000	1	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(COO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(COO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.1780	0.000	1	107.1780	0.000	1	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[5]N[6])(CCH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]N[6])(CCH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	113.2140	0.000	1	113.2140	0.000	1	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[5]O[6])(CCC)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]O[6])(CCC)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.0360	0.000	1	107.0360	0.000	1	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[6]N[5])(CCH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[6]N[5])(CCH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	103.5830	0.000	1	103.5830	0.000	1	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[6]N[5])(CCO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[6]N[5])(CCO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.4180	0.136	2	107.4180	0.018	2	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(CCH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[6]O[5])(CCH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.5190	0.000	1	107.5190	0.000	1	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(CCO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[6]O[5])(CCO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.9030	0.000	1	107.9030	0.000	1	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.7271	0.337	9	107.7271	0.113	9	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CNO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CNO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.2110	0.000	1	107.2110	0.000	1	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6a]C[6,6a]C[5,6])(COO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[6,6a]C[5,6])(COO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.3870	0.000	1	107.3870	0.000	1	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[6,6a]C[5,6]C[5])(CCH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[6,6a]C[5,6]C[5])(CCH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.5130	0.000	1	107.5130	0.000	1	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(CCH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]N[5,6]C[5]C[6])(CCH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.7282	0.143	5	107.7282	0.020	5	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(COO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]O[5,6]C[5]C[6])(COO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	105.9880	0.000	1	105.9880	0.000	1	107.5982	0.933	60	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[6]C[3,6]C[6])(H)2	H(CC[5,6]C[6]H)	H(CC[5,6]C[6]H)	C(C[5,6]C[5,6]C[5]C[6])(C[6]C[3,6]C[6])(H)2	H(CC[5,6]C[6]H)	H(CC[5,6]C[6]H)	107.1470	0.000	1	107.1470	0.000	1	107.3898	0.110	5	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[6]C[6]2)(H)2	H(CC[5,6]C[6]H)	H(CC[5,6]C[6]H)	C(C[5,6]C[5,6]C[5]C[6])(C[6]C[6]2)(H)2	H(CC[5,6]C[6]H)	H(CC[5,6]C[6]H)	107.2300	0.000	1	107.2300	0.000	1	107.3898	0.110	5	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(C[6]C[6]2)(H)2	H(CC[5,6]C[6]H)	H(CC[5,6]C[6]H)	C(C[5,6]C[5,6]C[6]O[5])(C[6]C[6]2)(H)2	H(CC[5,6]C[6]H)	H(CC[5,6]C[6]H)	107.5240	0.389	3	107.5240	0.151	3	107.3898	0.110	5	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(H)2	H(CC[5,6]C[6a]H)	H(CC[5,6]C[6a]H)	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(H)2	H(CC[5,6]C[6a]H)	H(CC[5,6]C[6a]H)	107.5420	0.000	1	107.5420	0.000	1	107.2079	1.587	14	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(H)2	H(CC[5,6]C[6a]H)	H(CC[5,6]C[6a]H)	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(H)2	H(CC[5,6]C[6a]H)	H(CC[5,6]C[6a]H)	107.0243	1.572	9	107.0243	2.470	9	107.2079	1.587	14	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]O[6a])(H)2	H(CC[5,6]C[6a]H)	H(CC[5,6]C[6a]H)	C(C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]O[6a])(H)2	H(CC[5,6]C[6a]H)	H(CC[5,6]C[6a]H)	107.4880	0.000	1	107.4880	0.000	1	107.2079	1.587	14	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5a,6]N[5,6]C[5])(C[6a]C[6a]2)(H)2	H(CC[5,6]C[6a]H)	H(CC[5,6]C[6a]H)	C(C[5,6]C[5a,6]N[5,6]C[5])(C[6a]C[6a]2)(H)2	H(CC[5,6]C[6a]H)	H(CC[5,6]C[6a]H)	107.6160	0.000	1	107.6160	0.000	1	107.2079	1.587	14	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]2)(H)2	H(CC[5,6]C[6a]H)	H(CC[5,6]C[6a]H)	C(C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]2)(H)2	H(CC[5,6]C[6a]H)	H(CC[5,6]C[6a]H)	107.5230	0.109	2	107.5230	0.012	2	107.2079	1.587	14	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6a]C)(H)2	H(CC[5,6]HN)	H(CC[5,6]HN)	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6a]C)(H)2	H(CC[5,6]HN)	H(CC[5,6]HN)	107.6925	0.165	4	107.6925	0.027	4	107.8244	0.090	7	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(NHS)(H)2	H(CC[5,6]HN)	H(CC[5,6]HN)	C(C[5,6]C[5,5,6]C[5,6]H)(NHS)(H)2	H(CC[5,6]HN)	H(CC[5,6]HN)	108.3850	0.000	1	108.3850	0.000	1	107.8244	0.090	7	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(NCH)(H)2	H(CC[5,6]HN)	H(CC[5,6]HN)	C(C[5,6]C[5,6]C[5]C[6])(NCH)(H)2	H(CC[5,6]HN)	H(CC[5,6]HN)	107.6150	0.000	1	107.6150	0.000	1	107.8244	0.090	7	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(NCS)(H)2	H(CC[5,6]HN)	H(CC[5,6]HN)	C(C[5,6]C[5,6]C[5]C[6])(NCS)(H)2	H(CC[5,6]HN)	H(CC[5,6]HN)	108.0010	0.000	1	108.0010	0.000	1	107.8244	0.090	7	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5,6]-4:O-3:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]O[5]O[6])(OPtH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]O[5]O[6])(OPtH)(H)2	H(CC[5,6]HO)	H(CC[5,6]HO)	107.9810	0.000	1	107.9810	0.000	1	107.9810	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:B-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(BOO)(H)2	H(CC[5]BH)	H(CC[5]BH)	C(C[5]C[5]N[5]H)(BOO)(H)2	H(CC[5]BH)	H(CC[5]BH)	105.8800	0.000	1	105.8800	0.000	1	105.8800	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:B[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]H)(B[5]O[5]2)(H)2	H(CB[5]C[5]H)	H(CB[5]C[5]H)	C(C[5]C[5,6]C[5]H)(B[5]O[5]2)(H)2	H(CB[5]C[5]H)	H(CB[5]C[5]H)	107.3840	0.000	1	107.3840	0.000	1	107.3840	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]B[5,5]N[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]B[5,5]N[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.1560	0.000	1	107.1560	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]C[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[3,5]C[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9810	0.000	1	107.9810	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]O[5]H)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[3,5]O[5]H)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8810	0.000	1	107.8810	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[3x5,6]N[5]H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[3x5,6]N[5]H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7890	0.000	1	107.7890	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5,6]C[5]H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5,6]C[5]H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8897	0.179	3	107.8897	0.032	3	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5,6]C[5]H)(CHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5,6]C[5]H)(CHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5850	0.000	1	107.5850	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5,6]O[5]H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5,6]O[5]H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8530	0.000	1	107.8530	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5,6]S[5]H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5,6]S[5]H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9785	0.151	2	107.9785	0.023	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]C)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5]C)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.0090	0.000	1	107.0090	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]C)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5]C)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3910	0.000	1	107.3910	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5185	1.020	2	107.5185	1.041	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5050	0.150	2	107.5050	0.022	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(CC[5]H)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC[5]H)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.2260	0.000	1	108.2260	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(CC[5a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC[5a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7550	0.000	1	107.7550	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8245	0.030	2	107.8245	0.001	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(CNO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CNO)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.0995	1.162	2	106.0995	1.350	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4388	1.289	6	107.4388	1.662	6	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]O)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5]O)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6890	0.023	2	107.6890	0.001	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]N[5,5]C)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]N[5,5]C)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7030	0.164	6	107.7030	0.027	6	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]N[5,6]C)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]N[5,6]C)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6450	0.000	1	107.6450	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]N[5]C)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]N[5]C)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8230	0.000	2	107.8230	0.000	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]N[5]C)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]N[5]C)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6733	0.194	13	107.6733	0.038	13	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]N[5]H)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]N[5]H)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9400	0.000	1	107.9400	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]N[5]H)(CNO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]N[5]H)(CNO)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.8310	0.000	1	106.8310	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]N[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]N[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9750	0.047	3	107.9750	0.002	3	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]H)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]O[5]H)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6030	0.000	1	107.6030	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]H)(CN[6]S)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]O[5]H)(CN[6]S)(H)2	H(CC[5]CH)	H(CC[5]CH)	104.5264	7.577	2	104.5264	57.408	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]O[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3650	0.280	2	107.3650	0.078	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]N)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]O[5]N)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7940	0.000	1	107.7940	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]P[5]Fe)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]P[5]Fe)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	102.8680	2.343	2	102.8680	5.491	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5a]C[5]H)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5a]C[5]H)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3300	0.000	1	107.3300	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5a]C[5]H)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5a]C[5]H)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8113	0.138	3	107.8113	0.019	3	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5a]C[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5a]C[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7110	0.000	1	107.7110	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6,6]C[5]H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6,6]C[5]H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0547	0.072	3	108.0547	0.005	3	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]2Fe)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]2Fe)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.6750	0.000	1	106.6750	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]2Fe)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]2Fe)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4622	0.095	4	107.4622	0.009	4	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]C)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.0220	0.000	1	107.0220	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]C)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.4000	0.000	1	108.4000	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.2917	1.211	3	108.2917	1.467	3	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]H)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5990	0.000	1	107.5990	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]H)(CC[5a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CC[5a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6110	0.267	2	107.6110	0.071	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]H)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8560	0.000	1	107.8560	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7327	0.114	3	107.7327	0.013	3	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]O)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]O)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4367	0.159	3	107.4367	0.025	3	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]O)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]O)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	105.7035	2.921	2	105.7035	8.533	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]N[5]H)(CC[6]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]N[5]H)(CC[6]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5220	0.000	1	107.5220	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]N[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]N[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8220	0.000	1	107.8220	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]O[5]C)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]O[5]C)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5870	0.000	1	107.5870	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]O[5]H)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.0619	1.477	9	107.0619	2.181	9	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]O[5]H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3430	0.427	4	107.3430	0.182	4	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]O[5]H)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7367	0.144	3	107.7367	0.021	3	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2C)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7615	0.305	4	107.7615	0.093	4	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2C)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.9380	0.000	1	108.9380	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2C)(CCP)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CCP)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.9320	0.064	2	106.9320	0.004	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2O)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]2O)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5565	0.131	2	107.5565	0.017	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2O)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]2O)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6985	0.152	2	107.6985	0.023	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,5]C)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]C)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7480	0.000	1	107.7480	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,5]H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7460	0.000	1	107.7460	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8515	0.186	11	107.8515	0.034	11	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,5]H)(CNO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]H)(CNO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7990	0.000	1	107.7990	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6554	0.272	5	107.6554	0.074	5	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,6]C)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6180	0.018	2	107.6180	0.000	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,6]H)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,6]H)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7360	0.000	1	107.7360	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,6]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,6]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7790	0.373	2	107.7790	0.139	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]2)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]2)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6683	0.084	4	107.6683	0.007	4	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7524	0.288	5	107.7524	0.083	5	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CCF)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCF)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2410	0.000	1	107.2410	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6737	0.191	18	107.6737	0.037	18	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6880	0.000	1	107.6880	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4172	0.259	4	107.4172	0.067	4	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CClC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CClC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3805	0.070	2	107.3805	0.005	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7230	0.000	1	107.7230	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CNO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CNO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8470	0.000	1	107.8470	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5927	0.222	4	107.5927	0.049	4	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(COS)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(COS)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3660	0.000	1	107.3660	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C[6])(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C[6])(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6460	0.000	1	107.6460	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]F)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]F)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8840	0.000	1	107.8840	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8890	0.076	2	107.8890	0.006	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(CCN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CCN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8640	0.000	1	107.8640	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.0884	1.035	5	107.0884	1.070	5	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(CC[6a]C)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CC[6a]C)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3920	0.000	1	107.3920	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7016	0.177	16	107.7016	0.031	16	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7794	0.136	9	107.7794	0.018	9	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]N)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]N)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.2947	1.012	3	108.2947	1.024	3	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]N)(CC[6a]C)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]N)(CC[6a]C)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4190	0.000	1	107.4190	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]N)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]N)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6090	0.000	1	107.6090	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6797	0.827	3	107.6797	0.684	3	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5740	0.058	3	107.5740	0.003	3	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5555	0.046	2	107.5555	0.002	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(CC[5a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CC[5a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5210	0.000	1	107.5210	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4775	0.155	12	107.4775	0.024	12	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5a]C[5])(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5a]C[5])(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2550	0.000	1	107.2550	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[6a]C[5])(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6550	0.092	2	107.6550	0.008	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CC[5]C)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[6a]C[5])(CC[5]C)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3140	0.000	1	107.3140	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6000	0.083	2	107.6000	0.007	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[6a]N[5])(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[6a]N[5])(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5530	0.000	1	107.5530	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5,5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5,5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8310	0.203	3	107.8310	0.041	3	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5,5a]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5,5a]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5910	0.000	1	107.5910	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5,6]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5,6]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9390	0.101	4	107.9390	0.010	4	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5,6a]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5,6a]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8470	0.000	1	107.8470	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6163	0.199	3	107.6163	0.040	3	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]C)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]C)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5300	0.000	1	107.5300	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8690	0.000	1	107.8690	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]H)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]H)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6715	0.159	2	107.6715	0.025	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]H)(CC[6a]N)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]H)(CC[6a]N)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9050	0.065	3	107.9050	0.004	3	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]H)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]H)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7890	0.109	2	107.7890	0.012	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.1854	1.296	5	107.1854	1.679	5	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]C)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7050	0.145	3	107.7050	0.021	3	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]O[5]H)(CC[6a]N)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CC[6a]N)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7330	0.000	1	107.7330	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8536	0.094	5	107.8536	0.009	5	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]O[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.5134	1.443	5	108.5134	2.082	5	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]S[5]H)(CN[5a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]S[5]H)(CN[5a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.4690	0.000	1	106.4690	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2C)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9646	0.826	8	107.9646	0.682	8	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2C)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4318	0.862	27	107.4318	0.744	27	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2C)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2955	0.032	2	107.2955	0.001	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(CC[5]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2C)(CC[5]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8980	0.000	1	107.8980	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(CC[5a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2C)(CC[5a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4880	0.000	1	107.4880	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(CC[6]H)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2C)(CC[6]H)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5150	0.000	1	107.5150	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(CHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2C)(CHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5900	0.000	1	107.5900	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(CNO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2C)(CNO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4901	0.136	9	107.4901	0.018	9	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2C)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4885	0.326	8	107.4885	0.106	8	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2F)(CClC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2F)(CClC)(H)2	H(CC[5]CH)	H(CC[5]CH)	111.2960	0.000	1	111.2960	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Fe)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.9207	1.017	3	108.9207	1.035	3	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Fe)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.5829	1.731	7	106.5829	2.996	7	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.1204	0.627	7	108.1204	0.394	7	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.0192	2.674	19	107.0192	7.151	19	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0107	1.780	12	108.0107	3.167	12	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CC[5,6]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[5,6]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8920	1.061	2	107.8920	1.125	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CC[6]H)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6]H)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8585	0.250	2	107.8585	0.062	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7668	0.226	12	107.7668	0.051	12	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9100	0.187	2	107.9100	0.035	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CNO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CNO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6580	0.222	6	107.6580	0.049	6	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5540	0.913	25	107.5540	0.834	25	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Hf)(CCN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Hf)(CCN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9450	0.000	1	107.9450	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Mn)(CC[6]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Mn)(CC[6]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.2860	0.000	1	108.2860	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2N)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2N)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6160	0.000	1	107.6160	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ni)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ni)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6988	0.159	5	107.6988	0.025	5	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2O)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5933	0.436	7	107.5933	0.190	7	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2O)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9090	0.531	5	107.9090	0.282	5	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2O)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6330	0.304	2	107.6330	0.092	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2O)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6780	0.000	1	107.6780	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ru)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ru)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5465	0.325	2	107.5465	0.105	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ru)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ru)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.3060	0.000	1	108.3060	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ti)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ti)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.1240	2.635	2	106.1240	6.942	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ti)(CC[4]C)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ti)(CC[4]C)(H)2	H(CC[5]CH)	H(CC[5]CH)	104.1530	0.000	1	104.1530	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ti)(CC[4]Si)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ti)(CC[4]Si)(H)2	H(CC[5]CH)	H(CC[5]CH)	103.7375	1.653	2	103.7375	2.731	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ti)(CC[6a]C)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ti)(CC[6a]C)(H)2	H(CC[5]CH)	H(CC[5]CH)	101.6180	0.000	1	101.6180	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ti)(CSiC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ti)(CSiC)(H)2	H(CC[5]CH)	H(CC[5]CH)	102.1065	0.209	2	102.1065	0.044	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Zr)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Zr)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7338	0.201	5	107.7338	0.041	5	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.1990	0.099	2	107.1990	0.010	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.9487	2.329	3	108.9487	5.426	3	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(CHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3360	0.000	1	107.3360	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(CNO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CNO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3330	0.530	2	107.3330	0.281	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8992	0.197	9	107.8992	0.039	9	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4630	0.406	2	107.4630	0.165	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5701	0.686	11	107.5701	0.471	11	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6817	0.210	18	107.6817	0.044	18	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(CC[6a]C)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CC[6a]C)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.1830	0.000	1	108.1830	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4766	0.523	7	107.4766	0.273	7	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(CNO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CNO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7809	0.416	10	107.7809	0.173	10	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(CN[5]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CN[5]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.0220	4.402	2	107.0220	19.382	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5225	1.315	12	107.5225	1.729	12	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]O)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]O)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.4313	1.607	4	108.4313	2.583	4	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6420	0.064	2	107.6420	0.004	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0110	0.890	5	108.0110	0.793	5	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	105.6940	0.000	1	105.6940	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.2491	1.101	14	108.2491	1.212	14	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(COS)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(COS)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7310	0.000	1	107.7310	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8270	0.340	7	107.8270	0.115	7	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.3785	0.780	13	108.3785	0.609	13	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CCN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCN)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0160	0.000	1	108.0160	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7897	1.519	8	107.7897	2.306	8	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7870	0.000	1	107.7870	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CNO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CNO)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.1210	0.000	1	108.1210	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8631	0.625	8	107.8631	0.391	8	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]O)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]O)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3310	0.000	1	107.3310	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]O)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]O)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8600	0.000	1	107.8600	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5]H)(CNO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]S[5]H)(CNO)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0710	0.007	2	108.0710	0.000	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]S[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9580	0.000	1	107.9580	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5a]N[5]2)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5a]N[5]2)(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8680	0.000	1	107.8680	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5a]N[5]S[5])(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5a]N[5]S[5])(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6980	0.000	1	107.6980	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]2)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[6a]C[5]2)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8360	0.000	1	107.8360	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[6a]C[5]N[5])(CCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6050	0.000	1	107.6050	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(CC[5a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[6a]C[5]N[5])(CC[5a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6060	0.000	1	107.6060	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[6a]C[5]N[5])(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5980	0.000	1	107.5980	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[6a]C[5]O[5])(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.1320	0.000	1	107.1320	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[6a]C[5]O[5])(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.6890	0.000	1	106.6890	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[6a]C[5]O[5])(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4390	0.000	1	107.4390	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[6a]C[5]O[5])(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2910	0.000	1	107.2910	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]N[5]2)(CNS)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[6a]N[5]2)(CNS)(H)2	H(CC[5]CH)	H(CC[5]CH)	109.4760	0.000	1	109.4760	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]N[5]O[5])(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[6a]N[5]O[5])(CCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9030	0.000	1	107.9030	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]N[5]O[5])(CNS)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[6a]N[5]O[5])(CNS)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9270	0.000	1	107.9270	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]C[5]C)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5,5]C[5]C)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6630	0.000	1	107.6630	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]C[5]H)(CCN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5,5]C[5]H)(CCN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5070	0.000	1	107.5070	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]C[6a]C[5])(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5,5]C[6a]C[5])(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.1550	0.000	1	107.1550	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6]C[5]C)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5,6]C[5]C)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3240	0.033	2	107.3240	0.001	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6]C[5]H)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5,6]C[5]H)(CCC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6840	0.000	1	107.6840	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6]C[5]H)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5,6]C[5]H)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8593	0.119	4	107.8593	0.014	4	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6a]C[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5,6a]C[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7220	0.000	1	107.7220	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2C)(CC[6a]N)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]2C)(CC[6a]N)(H)2	H(CC[5]CH)	H(CC[5]CH)	109.3500	0.000	1	109.3500	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2C)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]2C)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7564	0.175	5	107.7564	0.031	5	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5]C)(CCN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]O[5]C)(CCN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5080	0.000	1	107.5080	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5]C)(CC[6a]N)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]O[5]C)(CC[6a]N)(H)2	H(CC[5]CH)	H(CC[5]CH)	109.2160	0.000	1	109.2160	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5]H)(CC[5a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]O[5]H)(CC[5a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9210	0.000	1	107.9210	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5]H)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]O[5]H)(CC[6a]O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8660	0.024	2	107.8660	0.001	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]O[5]H)(COO)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0510	0.140	2	108.0510	0.020	2	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2C)(CC[6a]N)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]O[5]2C)(CC[6a]N)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6840	0.000	1	107.6840	0.000	1	107.6106	1.195	686	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(C[5]C[5]2)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5,5]C[5]H)(C[5]C[5]2)(H)2	H(CC[5]2H)	H(CC[5]2H)	107.5080	0.000	1	107.5080	0.000	1	107.4657	1.484	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[5]C[5,6a]C[5])(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5,6a]C[5]C)(C[5]C[5,6a]C[5])(H)2	H(CC[5]2H)	H(CC[5]2H)	107.7000	0.000	1	107.7000	0.000	1	107.4657	1.484	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(H)2	H(CC[5]2H)	H(CC[5]2H)	104.1860	0.000	1	104.1860	0.000	1	107.4657	1.484	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5]2C)(C[5]C[5]2)(H)2	H(CC[5]2H)	H(CC[5]2H)	107.3670	0.000	1	107.3670	0.000	1	107.4657	1.484	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	H(CC[5]2H)	H(CC[5]2H)	108.9690	1.525	2	108.9690	2.324	2	107.4657	1.484	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ru)(C[5]N[5]2)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5]2Ru)(C[5]N[5]2)(H)2	H(CC[5]2H)	H(CC[5]2H)	107.5825	0.046	2	107.5825	0.002	2	107.4657	1.484	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	H(CC[5]2H)	H(CC[5]2H)	107.3560	0.144	2	107.3560	0.021	2	107.4657	1.484	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(C[5]C[5]2)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5]O[5]C)(C[5]C[5]2)(H)2	H(CC[5]2H)	H(CC[5]2H)	107.5540	0.000	1	107.5540	0.000	1	107.4657	1.484	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(C[5]C[5]2)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5]O[5]H)(C[5]C[5]2)(H)2	H(CC[5]2H)	H(CC[5]2H)	107.6310	0.000	1	107.6310	0.000	1	107.4657	1.484	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5a]C[5,5]H)(C[5]C[5]2)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]N[5,5a]C[5,5]H)(C[5]C[5]2)(H)2	H(CC[5]2H)	H(CC[5]2H)	107.2930	0.000	1	107.2930	0.000	1	107.4657	1.484	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,5]H)(C[5a]C[5a]O[5a])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5]C[5,6a]C[5,5]H)(C[5a]C[5a]O[5a])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	107.6610	0.000	1	107.6610	0.000	1	107.4854	0.145	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[5a]C[5a]N[5a])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5]C[5,6a]C[5]C)(C[5a]C[5a]N[5a])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	107.2890	0.000	1	107.2890	0.000	1	107.4854	0.145	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[5a]N[5a]O[5a])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5]C[5,6a]C[5]C)(C[5a]N[5a]O[5a])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	107.5803	0.143	3	107.5803	0.020	3	107.4854	0.145	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C[6])(C[5a]C[5a]S[5a])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5]C[5,6a]C[5]C[6])(C[5a]C[5a]S[5a])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	107.6530	0.000	1	107.6530	0.000	1	107.4854	0.145	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]F)(C[5a]C[5a]S[5a])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5]C[5,6a]C[5]F)(C[5a]C[5a]S[5a])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	107.7190	0.000	1	107.7190	0.000	1	107.4854	0.145	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(C[5a]C[5a]S[5a])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5]C[5,6a]C[5]H)(C[5a]C[5a]S[5a])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	107.4500	0.000	1	107.4500	0.000	1	107.4854	0.145	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]O[5a])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]O[5a])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	107.9200	0.000	1	107.9200	0.000	1	107.4854	0.145	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	107.5290	0.287	2	107.5290	0.082	2	107.4854	0.145	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]S)(C[5a]C[5a]S[5a])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5]C[5,6a]C[5]S)(C[5a]C[5a]S[5a])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	106.3720	0.000	1	106.3720	0.000	1	107.4854	0.145	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5a]C[5])(C[5a]C[5a]O[5a])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	C(C[5]C[5,6a]C[5a]C[5])(C[5a]C[5a]O[5a])(H)2	H(CC[5a]C[5]H)	H(CC[5a]C[5]H)	107.4470	0.000	1	107.4470	0.000	1	107.4854	0.145	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2C)(C[6]C[6]2)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[5]C[5,6a]2C)(C[6]C[6]2)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	107.2520	0.000	1	107.2520	0.000	1	109.3726	12.971	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2H)(C[6]C[6]2)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[5]C[5,6a]2H)(C[6]C[6]2)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	107.7380	0.000	1	107.7380	0.000	1	109.3726	12.971	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6]C[6]2)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[5]C[5,6a]C[5]C)(C[6]C[6]2)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	107.4020	0.000	1	107.4020	0.000	1	109.3726	12.971	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]N)(C[6]C[6]O[6])(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[5]C[5,6a]C[5]N)(C[6]C[6]O[6])(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	107.8480	0.000	1	107.8480	0.000	1	109.3726	12.971	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(C[6]C[6]2)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[5]C[5]2Fe)(C[6]C[6]2)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	112.6490	0.000	1	112.6490	0.000	1	109.3726	12.971	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	110.6973	5.542	3	110.6973	30.710	3	109.3726	12.971	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]B[3,5]C[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]B[3,5]C[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.8700	0.000	1	107.8700	0.000	1	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]B[5]C[5]N[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]B[5]C[5]N[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.4840	0.000	1	107.4840	0.000	1	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.6230	0.000	1	107.6230	0.000	1	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]O[5]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[3,5]O[5]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.2560	0.000	1	107.2560	0.000	1	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[4,5,5]C[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[4,5,5]C[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.8400	0.000	1	107.8400	0.000	1	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.0822	0.136	5	107.0822	0.019	5	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.4688	0.356	4	107.4688	0.127	4	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]O)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,5]C[5]O)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	108.7840	0.439	3	108.7840	0.192	3	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]N[5]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,5]N[5]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.5955	0.245	2	107.5955	0.060	2	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.7990	0.284	5	107.7990	0.081	5	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,5]O[5]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.7550	0.000	1	107.7550	0.000	1	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.8113	0.100	3	107.8113	0.010	3	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5a]C[5,6a]O)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,5a]C[5,6a]O)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.7385	0.040	2	107.7385	0.002	2	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5a]C[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,5a]C[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.6580	0.000	1	107.6580	0.000	1	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6,6]C[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6,6]C[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.6240	0.000	1	107.6240	0.000	1	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.7338	0.218	13	107.7338	0.048	13	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]N)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]N)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.4485	0.052	2	107.4485	0.003	2	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]N[6a])(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]N[6a])(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	108.5900	1.188	2	108.5900	1.411	2	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Pd)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]Pd)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.8385	0.028	2	107.8385	0.001	2	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Zr)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]Zr)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.6760	0.000	1	107.6760	0.000	1	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]N[5]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6]N[5]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.7725	0.298	2	107.7725	0.089	2	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.6973	0.365	14	107.6973	0.134	14	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	106.6077	2.010	3	106.6077	4.040	3	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.6218	0.268	6	107.6218	0.072	6	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.7017	0.269	6	107.7017	0.073	6	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.5566	0.150	23	107.5566	0.022	23	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.6067	0.085	3	107.6067	0.007	3	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	108.4708	1.513	4	108.4708	2.290	4	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.5110	0.205	5	107.5110	0.042	5	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.6611	0.145	9	107.6611	0.021	9	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]S)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]S)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.6190	0.000	2	107.6190	0.000	2	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.6500	0.221	3	107.6500	0.049	3	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C[6a])(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C[6a])(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.6940	0.000	1	107.6940	0.000	1	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.5348	0.199	6	107.5348	0.040	6	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]N[5]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.5830	0.000	1	107.5830	0.000	1	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.6342	0.096	4	107.6342	0.009	4	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]N[6a])(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]N[6a])(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.8190	0.000	1	107.8190	0.000	1	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.4668	0.162	5	107.4668	0.026	5	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]O[5]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.4850	0.000	1	107.4850	0.000	1	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Cl)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5]2Cl)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.6030	0.000	1	107.6030	0.000	1	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Co)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5]2Co)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.8398	0.640	6	107.8398	0.409	6	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Cr)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5]2Cr)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.1800	0.252	11	107.1800	0.064	11	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.5068	0.268	16	107.5068	0.072	16	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ir)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5]2Ir)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.5257	0.434	3	107.5257	0.189	3	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Mo)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5]2Mo)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.6319	0.240	7	107.6319	0.058	7	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2N[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5]2N[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.5973	0.215	4	107.5973	0.046	4	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Os)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5]2Os)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.4130	0.000	1	107.4130	0.000	1	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Rh)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5]2Rh)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.4960	0.580	8	107.4960	0.337	8	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.7212	0.368	5	107.7212	0.136	5	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Se)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5]2Se)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.7270	0.000	1	107.7270	0.000	1	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ti)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5]2Ti)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	106.5795	1.014	4	106.5795	1.028	4	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]C[6]O[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5]C[6]O[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.5110	0.000	1	107.5110	0.000	1	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.6721	1.364	30	107.6721	1.860	30	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.8430	0.886	195	107.8430	0.786	195	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]N)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]N)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.6328	0.155	9	107.6328	0.024	9	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]O)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]O)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	106.5937	2.775	6	106.5937	7.702	6	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]S)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]S)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.8240	0.000	1	107.8240	0.000	1	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	106.6874	3.321	10	106.6874	11.027	10	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.9479	0.843	13	107.9479	0.710	13	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]N)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]N)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.7230	0.000	1	107.7230	0.000	1	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]O)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]O)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.6595	0.132	2	107.6595	0.017	2	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.3255	0.134	2	107.3255	0.018	2	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	108.3787	1.910	7	108.3787	3.649	7	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.6665	0.104	2	107.6665	0.011	2	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.4725	0.087	2	107.4725	0.008	2	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]N[6a])(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]N[6a])(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.7080	0.247	2	107.7080	0.061	2	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.2640	0.000	1	107.2640	0.000	1	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]S[5]2)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]C[6a]S[5]2)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	113.2190	0.000	1	113.2190	0.000	1	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]Ge[5]2H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]Ge[5]2H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.8830	0.000	1	107.8830	0.000	1	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.7459	0.411	7	107.7459	0.169	7	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.8750	0.118	3	107.8750	0.014	3	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]H)	H(CC[6a]C[5]H)	107.8418	0.140	4	107.8418	0.020	4	107.7005	0.948	518	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[3x5,6]S[5]H)(NOO)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[3x5,6]S[5]H)(NOO)(H)2	H(CC[5]HN)	H(CC[5]HN)	109.4090	0.000	1	109.4090	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[4]C[5]N[5])(NCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[4]C[5]N[5])(NCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.7000	0.000	1	107.7000	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5,6]C[5]C)(NOO)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,5,6]C[5]C)(NOO)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.8300	0.000	1	107.8300	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]C)(NCS)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,5]C[5]C)(NCS)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.3340	0.018	2	108.3340	0.000	2	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]C)(NOO)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,5]C[5]C)(NOO)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.5970	0.000	1	107.5970	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(NCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,5]C[5]H)(NCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.2470	0.000	1	108.2470	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(NOO)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,5]C[5]H)(NOO)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.6200	0.000	1	107.6200	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]N[5]H)(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,5]N[5]H)(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.7740	0.000	1	107.7740	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]C)(NCS)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,5]O[5]C)(NCS)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.0660	0.000	1	108.0660	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]H)(NC[6]H)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,5]O[5]H)(NC[6]H)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.0695	0.175	2	108.0695	0.031	2	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5a]O[5]C)(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,5a]O[5]C)(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.0780	0.000	1	108.0780	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]H)(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,6]C[5]H)(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.5035	0.179	2	107.5035	0.032	2	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]H)(NC[6a]C)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,6]C[5]H)(NC[6a]C)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.1020	0.246	2	108.1020	0.061	2	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]O[5]H)(NCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,6]O[5]H)(NCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.9397	0.197	6	107.9397	0.039	6	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]O[5]H)(NOO)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,6]O[5]H)(NOO)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.0260	0.000	1	107.0260	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,6a]C[5]C)(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.4190	0.000	1	107.4190	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(NCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,6a]C[5]C)(NCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.1735	1.072	4	107.1735	1.148	4	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(NOO)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,6a]C[5]C)(NOO)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.7370	0.000	1	107.7370	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(NHS)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,6a]C[5]H)(NHS)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.1120	0.170	3	108.1120	0.029	3	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(NOO)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,6a]C[5]H)(NOO)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.6090	0.000	1	107.6090	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]N)(NOO)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,6a]C[5]N)(NOO)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.0030	0.000	1	108.0030	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(NOO)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,6a]C[5]O)(NOO)(H)2	H(CC[5]HN)	H(CC[5]HN)	109.1567	2.056	3	109.1567	4.226	3	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5a]C[5])(NHS)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,6a]C[5a]C[5])(NHS)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.9075	0.149	2	107.9075	0.022	2	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(NC[6a]H)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,6a]C[6a]C[5])(NC[6a]H)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.4330	0.000	1	107.4330	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]O)(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,6a]N[5]O)(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	110.7435	4.269	2	110.7435	18.223	2	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(NSS)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,6a]O[5]C)(NSS)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.2460	0.000	1	107.2460	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(NCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2C)(NCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.6550	0.013	2	107.6550	0.000	2	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(NCS)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2C)(NCS)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.9737	0.175	3	107.9737	0.031	3	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(NC[6a]C)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2C)(NC[6a]C)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.7260	0.022	3	107.7260	0.000	3	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(NHH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2C)(NHH)(H)2	H(CC[5]HN)	H(CC[5]HN)	113.2690	0.000	1	113.2690	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Co)(NPdC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Co)(NPdC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.5700	0.000	1	108.5700	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.5546	1.251	62	107.5546	1.566	62	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.9493	0.466	43	107.9493	0.218	43	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NCS)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NCS)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.1720	0.000	1	108.1720	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NC[5a]C)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NC[5a]C)(H)2	H(CC[5]HN)	H(CC[5]HN)	116.8610	9.097	3	116.8610	82.757	3	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NC[6]C)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NC[6]C)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.7613	0.026	3	107.7613	0.001	3	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NC[6]H)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NC[6]H)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.9255	0.030	2	107.9255	0.001	2	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NC[6a]C)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NC[6a]C)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.5405	0.431	6	107.5405	0.186	6	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NC[6a]H)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NC[6a]H)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.0027	0.256	6	108.0027	0.065	6	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NCuC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NCuC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.4253	0.252	4	107.4253	0.064	4	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NFeC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NFeC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.7810	0.000	1	107.7810	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NHS)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NHS)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.8100	0.243	3	107.8100	0.059	3	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NIrS)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NIrS)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.9080	0.000	1	107.9080	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NN[5a]H)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NN[5a]H)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.0730	0.000	1	108.0730	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NP[6]C)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NP[6]C)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.8620	0.054	2	107.8620	0.003	2	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NPdC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NPdC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.5220	0.375	3	108.5220	0.141	3	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(NCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2H)(NCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.6896	0.680	10	107.6896	0.463	10	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(NCS)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2H)(NCS)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.9797	0.072	3	107.9797	0.005	3	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(NC[6]H)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2H)(NC[6]H)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.9970	0.000	1	107.9970	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(NC[6a]H)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2H)(NC[6a]H)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.9785	0.062	2	107.9785	0.004	2	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(NOO)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2H)(NOO)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.8259	0.206	9	107.8259	0.043	9	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Mn)(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Mn)(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.9010	0.053	3	107.9010	0.003	3	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O)(NOO)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2O)(NOO)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.6190	0.204	2	107.6190	0.041	2	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ru)(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Ru)(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.8255	0.248	2	107.8255	0.062	2	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ru)(NC[5a]C)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Ru)(NC[5a]C)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.7150	0.000	1	107.7150	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ru)(NC[6a]H)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Ru)(NC[6a]H)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.0330	0.205	2	108.0330	0.042	2	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(NC[6]H)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5]C)(NC[6]H)(H)2	H(CC[5]HN)	H(CC[5]HN)	112.4350	0.000	1	112.4350	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(NC[6a]C)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5]C)(NC[6a]C)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.1420	0.000	1	107.1420	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(NAlC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NAlC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.4900	0.000	1	108.4900	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(NCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.1887	1.062	6	108.1887	1.128	6	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(NCS)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NCS)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.9235	0.097	2	107.9235	0.009	2	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(NCuC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NCuC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.3907	0.110	3	108.3907	0.012	3	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(NHO)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NHO)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.8140	0.000	1	107.8140	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(NHS)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NHS)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.9463	0.419	3	107.9463	0.175	3	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(NOO)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NOO)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.7890	0.011	2	107.7890	0.000	2	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(NC[6a]H)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]O[5]C)(NC[6a]H)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.6990	0.047	2	107.6990	0.002	2	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.7043	0.183	6	107.7043	0.033	6	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(NCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.3426	0.941	25	108.3426	0.886	25	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(NCuC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NCuC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.2200	0.000	1	108.2200	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(NNiC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NNiC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.6540	0.000	1	107.6540	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(NOsC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NOsC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.0510	0.000	1	108.0510	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(NReC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NReC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.9910	0.000	1	107.9910	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(NRuC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NRuC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.8080	0.000	1	107.8080	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]O)(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]O[5]O)(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.1380	0.000	1	108.1380	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5]H)(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]S[5]H)(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.0170	0.000	1	108.0170	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(NCS)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[6a]C[5]N[5])(NCS)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.4920	0.028	2	107.4920	0.001	2	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(NHS)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[6a]C[5]N[5])(NHS)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.1720	0.286	2	108.1720	0.082	2	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(NOO)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[6a]C[5]N[5])(NOO)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.9650	0.000	1	107.9650	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(NHS)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[6a]C[5]O[5])(NHS)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.0950	0.000	1	108.0950	0.000	1	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]C[6a]C[5])(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]N[5,5]C[6a]C[5])(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.9115	0.011	2	107.9115	0.000	2	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2C)(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]O[5]2C)(NCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.3073	0.098	3	107.3073	0.010	3	108.0010	2.239	301	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]O[5]H)(N[5]C[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(C[5]C[3,5]O[5]H)(N[5]C[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	107.5320	0.000	1	107.5320	0.000	1	107.9043	0.138	46	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(N[5]C[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(C[5]C[5]2C)(N[5]C[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	107.9460	0.000	1	107.9460	0.000	1	107.9043	0.138	46	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	107.8565	0.204	22	107.8565	0.042	22	107.9043	0.138	46	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	107.9016	0.401	5	107.9016	0.161	5	107.9043	0.138	46	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Mn)(N[5]C[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(C[5]C[5]2Mn)(N[5]C[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	108.5560	0.024	2	108.5560	0.001	2	107.9043	0.138	46	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(N[5]C[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(C[5]C[5]N[5]H)(N[5]C[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	108.0490	0.000	1	108.0490	0.000	1	107.9043	0.138	46	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]Mo)(N[5]C[5]N[5])(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(C[5]C[5]N[5]Mo)(N[5]C[5]N[5])(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	108.0740	0.000	1	108.0740	0.000	1	107.9043	0.138	46	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]W)(N[5]C[5]N[5])(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(C[5]C[5]N[5]W)(N[5]C[5]N[5])(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	108.0420	0.000	1	108.0420	0.000	1	107.9043	0.138	46	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	108.1022	0.742	6	108.1022	0.551	6	107.9043	0.138	46	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]P[5]Fe)(N[5]C[5]N[5])(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(C[5]C[5]P[5]Fe)(N[5]C[5]N[5])(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	107.5367	0.119	4	107.5367	0.014	4	107.9043	0.138	46	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]O[5]2)(N[5]C[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(C[5]C[6a]O[5]2)(N[5]C[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	107.8180	0.000	1	107.8180	0.000	1	107.9043	0.138	46	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]O[5]2)(N[5]C[5]N[5])(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(C[5]C[6a]O[5]2)(N[5]C[5]N[5])(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	107.9150	0.000	1	107.9150	0.000	1	107.9043	0.138	46	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(N[5a]C[5a]N[5a])(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	C(C[5]C[5,6a]C[5]O)(N[5a]C[5a]N[5a])(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	107.6900	0.000	1	107.6900	0.000	1	107.8918	0.042	12	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(N[5a]C[5a]2)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	C(C[5]C[5]O[5]H)(N[5a]C[5a]2)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	108.1442	0.064	4	108.1442	0.004	4	107.8918	0.042	12	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(N[5a]C[5a]N[5a])(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	C(C[5]C[6a]C[5]O[5])(N[5a]C[5a]N[5a])(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	107.7040	0.000	1	107.7040	0.000	1	107.8918	0.042	12	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]N[5]O[5])(N[5a]C[5a]N[5a])(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	C(C[5]C[6a]N[5]O[5])(N[5a]C[5a]N[5a])(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	107.9570	0.000	1	107.9570	0.000	1	107.8918	0.042	12	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]O[5]2)(N[5a]C[5a]2)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	C(C[5]C[6a]O[5]2)(N[5a]C[5a]2)(H)2	H(CN[5a]C[5]H)	H(CN[5a]C[5]H)	107.7546	0.073	5	107.7546	0.005	5	107.8918	0.042	12	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]H)(N[6]C[6]2)(H)2	H(CC[5]N[6]H)	H(CC[5]N[6]H)	C(C[5]C[5,5]O[5]H)(N[6]C[6]2)(H)2	H(CC[5]N[6]H)	H(CC[5]N[6]H)	108.2420	0.000	1	108.2420	0.000	1	107.9681	0.227	29	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(N[6]C[6]2)(H)2	H(CC[5]N[6]H)	H(CC[5]N[6]H)	C(C[5]C[5]2Fe)(N[6]C[6]2)(H)2	H(CC[5]N[6]H)	H(CC[5]N[6]H)	107.9911	0.344	7	107.9911	0.118	7	107.9681	0.227	29	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	H(CC[5]N[6]H)	H(CC[5]N[6]H)	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	H(CC[5]N[6]H)	H(CC[5]N[6]H)	107.7299	0.124	13	107.7299	0.015	13	107.9681	0.227	29	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(N[6]C[6]2)(H)2	H(CC[5]N[6]H)	H(CC[5]N[6]H)	C(C[5]C[5]N[5]H)(N[6]C[6]2)(H)2	H(CC[5]N[6]H)	H(CC[5]N[6]H)	108.9423	0.862	3	108.9423	0.743	3	107.9681	0.227	29	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(N[6]C[5a,6]2)(H)2	H(CC[5]N[6]H)	H(CC[5]N[6]H)	C(C[5]C[5]O[5]H)(N[6]C[5a,6]2)(H)2	H(CC[5]N[6]H)	H(CC[5]N[6]H)	107.6700	0.000	1	107.6700	0.000	1	107.9681	0.227	29	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	H(CC[5]N[6]H)	H(CC[5]N[6]H)	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	H(CC[5]N[6]H)	H(CC[5]N[6]H)	107.9775	0.268	4	107.9775	0.072	4	107.9681	0.227	29	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(N[6a]C[6a]2)(H)2	H(CN[6a]C[5]H)	H(CN[6a]C[5]H)	C(C[5]C[5]2Fe)(N[6a]C[6a]2)(H)2	H(CN[6a]C[5]H)	H(CN[6a]C[5]H)	107.9232	0.117	4	107.9232	0.014	4	107.8042	0.049	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ru)(N[6a]C[6a]2)(H)2	H(CN[6a]C[5]H)	H(CN[6a]C[5]H)	C(C[5]C[5]2Ru)(N[6a]C[6a]2)(H)2	H(CN[6a]C[5]H)	H(CN[6a]C[5]H)	107.3370	0.000	1	107.3370	0.000	1	107.8042	0.049	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(N[6a]C[6a]2)(H)2	H(CN[6a]C[5]H)	H(CN[6a]C[5]H)	C(C[5]C[5]N[5]H)(N[6a]C[6a]2)(H)2	H(CN[6a]C[5]H)	H(CN[6a]C[5]H)	107.6700	0.000	1	107.6700	0.000	1	107.8042	0.049	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(N[6a]C[6a]2)(H)2	H(CN[6a]C[5]H)	H(CN[6a]C[5]H)	C(C[5]C[5]O[5]H)(N[6a]C[6a]2)(H)2	H(CN[6a]C[5]H)	H(CN[6a]C[5]H)	107.8470	0.000	1	107.8470	0.000	1	107.8042	0.049	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:N[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]O)(N[6a]C[6a]2)(H)2	H(CN[6a]C[5]H)	H(CN[6a]C[5]H)	C(C[5]C[5]O[5]O)(N[6a]C[6a]2)(H)2	H(CN[6a]C[5]H)	H(CN[6a]C[5]H)	107.8870	0.000	1	107.8870	0.000	1	107.8042	0.049	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:O-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(OCoH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OCoH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.0560	0.000	1	108.0560	0.000	1	108.1001	0.064	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:O-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(ONiH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]N[5]C)(ONiH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.0420	0.000	1	108.0420	0.000	1	108.1001	0.064	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:O-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(OZnH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OZnH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.3590	0.000	1	108.3590	0.000	1	108.1001	0.064	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:O-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(OLiC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OLiC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.1240	0.127	2	108.1240	0.016	2	108.1001	0.064	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:O-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(OMgC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OMgC)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.5935	0.011	2	108.5935	0.000	2	108.1001	0.064	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:O-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(OPdC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OPdC)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.9365	0.042	2	107.9365	0.002	2	108.1001	0.064	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:O-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(OAl2)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OAl2)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.0722	0.219	4	108.0722	0.048	4	108.1001	0.064	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:O-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(OCoC)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OCoC)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.9030	0.000	1	107.9030	0.000	1	108.1001	0.064	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:O-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(OMnH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OMnH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.1900	0.000	1	108.1900	0.000	1	108.1001	0.064	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:O-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(ONiH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(ONiH)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.7465	0.022	2	107.7465	0.000	2	108.1001	0.064	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:O-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(OPtH)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OPtH)(H)2	H(CC[5]HO)	H(CC[5]HO)	108.1620	0.000	1	108.1620	0.000	1	108.1001	0.064	18	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:P-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(PC[6]C)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]2Fe)(PC[6]C)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.9820	0.000	1	107.9820	0.000	1	108.3644	1.963	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:P-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(PC[6a]2)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]2Fe)(PC[6a]2)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.8350	0.000	1	107.8350	0.000	1	108.3644	1.963	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:P-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(PHH)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]2Fe)(PHH)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.7360	0.000	1	107.7360	0.000	1	108.3644	1.963	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:P-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(PPd2)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]2Fe)(PPd2)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.8650	0.334	3	107.8650	0.112	3	108.3644	1.963	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:P-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ti)(PC[6a]C)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]2Ti)(PC[6a]C)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.9690	0.000	1	107.9690	0.000	1	108.3644	1.963	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:P-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(PC[6a]2)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]N[5]H)(PC[6a]2)(H)2	H(CC[5]HP)	H(CC[5]HP)	111.7980	0.000	1	111.7980	0.000	1	108.3644	1.963	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:S-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2N[5])(SPdC)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5,6a]2N[5])(SPdC)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.1060	0.000	1	107.1060	0.000	1	108.1033	0.485	12	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:S-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(SC[6a]Rh)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]2Fe)(SC[6a]Rh)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.5810	0.000	1	107.5810	0.000	1	108.1033	0.485	12	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:S-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(SIrC)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]2Fe)(SIrC)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.6340	0.000	1	107.6340	0.000	1	108.1033	0.485	12	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:S-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(SPd2)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]2Fe)(SPd2)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.9920	0.000	1	107.9920	0.000	1	108.1033	0.485	12	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:S-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(SPdC)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]2Fe)(SPdC)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.7160	0.000	1	107.7160	0.000	1	108.1033	0.485	12	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:S-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(SPt2)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]2Fe)(SPt2)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.9220	0.000	1	107.9220	0.000	1	108.1033	0.485	12	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:S-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(SRhC)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]2Fe)(SRhC)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.8360	0.000	1	107.8360	0.000	1	108.1033	0.485	12	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:S-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]Fe)(SCW)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]N[5]Fe)(SCW)(H)2	H(CC[5]HS)	H(CC[5]HS)	108.1010	0.000	1	108.1010	0.000	1	108.1033	0.485	12	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:S-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(SRu2)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]N[5]H)(SRu2)(H)2	H(CC[5]HS)	H(CC[5]HS)	109.4335	0.062	2	109.4335	0.004	2	108.1033	0.485	12	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[5]-4:S-3:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(SC[6a]O)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]O[5]H)(SC[6a]O)(H)2	H(CC[5]HS)	H(CC[5]HS)	108.2420	0.024	2	108.2420	0.001	2	108.1033	0.485	12	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:B-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]C[6]2)(BC[6a]2)(H)2	H(CC[6,6]BH)	H(CC[6,6]BH)	C(C[6,6]C[6,6]C[6]2)(BC[6a]2)(H)2	H(CC[6,6]BH)	H(CC[6,6]BH)	106.5340	0.000	1	106.5340	0.000	1	106.5340	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]2H)(COO)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[3x6]2H)(COO)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.4440	0.000	1	107.4440	0.000	1	107.6843	0.513	52	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]2O)(CCH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[3x6]2O)(CCH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	109.4867	0.061	3	109.4867	0.004	3	107.6843	0.513	52	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]C[5a])(CCH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6]C[5a])(CCH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.7205	0.046	2	107.7205	0.002	2	107.6843	0.513	52	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]C[6a])(CCH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6]C[6a])(CCH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.9095	0.115	2	107.9095	0.013	2	107.6843	0.513	52	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]N[6,6]H)(CCO)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[3x6]N[6,6]H)(CCO)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.4690	0.000	1	107.4690	0.000	1	107.6843	0.513	52	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[4,6,6]C[6,6]O)(CC[6,6]O)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[4,6,6]C[6,6]O)(CC[6,6]O)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	108.6010	0.000	1	108.6010	0.000	1	107.6843	0.513	52	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6,6]C[6]2)(CCH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[5,6,6]C[6]2)(CCH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.6080	0.000	1	107.6080	0.000	1	107.6843	0.513	52	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]2H)(CCH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[6,6]2H)(CCH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.6355	0.233	4	107.6355	0.054	4	107.6843	0.513	52	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]2H)(CC[6a]O)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[6,6]2H)(CC[6a]O)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.7710	0.069	2	107.7710	0.005	2	107.6843	0.513	52	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]2O)(CCH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[6,6]2O)(CCH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.5865	0.029	2	107.5865	0.001	2	107.6843	0.513	52	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.3694	0.711	24	107.3694	0.506	24	107.6843	0.513	52	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]C[6]2)(CNO)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[6,6]C[6]2)(CNO)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	108.4750	0.000	1	108.4750	0.000	1	107.6843	0.513	52	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]C[6]2)(COO)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[6,6]C[6]2)(COO)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.8300	0.000	1	107.8300	0.000	1	107.6843	0.513	52	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]N[6]O[6])(COO)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[6,6]N[6]O[6])(COO)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.7185	0.277	6	107.7185	0.077	6	107.6843	0.513	52	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]O[6]2)(COO)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[6,6]O[6]2)(COO)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	108.0010	0.000	1	108.0010	0.000	1	107.6843	0.513	52	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]N[6,6]H)(C[5a]C[5a,6a]C[5a])(H)2	H(CC[6,6]C[5a]H)	H(CC[6,6]C[5a]H)	C(C[6,6]C[3x6]N[6,6]H)(C[5a]C[5a,6a]C[5a])(H)2	H(CC[6,6]C[5a]H)	H(CC[6,6]C[5a]H)	107.1520	0.000	1	107.1520	0.000	1	107.1520	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]2H)(C[6]C[6]2)(H)2	H(CC[6,6]C[6]H)	H(CC[6,6]C[6]H)	C(C[6,6]C[3x6]2H)(C[6]C[6]2)(H)2	H(CC[6,6]C[6]H)	H(CC[6,6]C[6]H)	107.7210	0.000	1	107.7210	0.000	1	107.7210	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]2C)(C[6a]C[6a]2)(H)2	H(CC[6,6]C[6a]H)	H(CC[6,6]C[6a]H)	C(C[6,6]C[3x6]2C)(C[6a]C[6a]2)(H)2	H(CC[6,6]C[6a]H)	H(CC[6,6]C[6a]H)	107.9360	0.000	1	107.9360	0.000	1	107.8356	9.249	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]F)(C[6a]C[6a]2)(H)2	H(CC[6,6]C[6a]H)	H(CC[6,6]C[6a]H)	C(C[6,6]C[3x6]C[6,6]F)(C[6a]C[6a]2)(H)2	H(CC[6,6]C[6a]H)	H(CC[6,6]C[6a]H)	107.1010	0.000	1	107.1010	0.000	1	107.8356	9.249	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(H)2	H(CC[6,6]C[6a]H)	H(CC[6,6]C[6a]H)	C(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(H)2	H(CC[6,6]C[6a]H)	H(CC[6,6]C[6a]H)	107.7660	0.000	1	107.7660	0.000	1	107.8356	9.249	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	H(CC[6,6]C[6a]H)	H(CC[6,6]C[6a]H)	C(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	H(CC[6,6]C[6a]H)	H(CC[6,6]C[6a]H)	107.6465	0.305	6	107.6465	0.093	6	107.8356	9.249	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6,6a]C[4,6,6]H)(C[6a]C[6a]2)(H)2	H(CC[6,6]C[6a]H)	H(CC[6,6]C[6a]H)	C(C[6,6]C[6,6,6a]C[4,6,6]H)(C[6a]C[6a]2)(H)2	H(CC[6,6]C[6a]H)	H(CC[6,6]C[6a]H)	116.8705	2.002	2	116.8705	4.007	2	107.8356	9.249	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(H)2	H(CC[6,6]C[6a]H)	H(CC[6,6]C[6a]H)	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(H)2	H(CC[6,6]C[6a]H)	H(CC[6,6]C[6a]H)	107.6800	0.000	1	107.6800	0.000	1	107.8356	9.249	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	H(CC[6,6]C[6a]H)	H(CC[6,6]C[6a]H)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	H(CC[6,6]C[6a]H)	H(CC[6,6]C[6a]H)	106.7760	2.635	13	106.7760	6.944	13	107.8356	9.249	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a]2)(H)2	H(CC[6,6]C[6a]H)	H(CC[6,6]C[6a]H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a]2)(H)2	H(CC[6,6]C[6a]H)	H(CC[6,6]C[6a]H)	107.7765	0.103	2	107.7765	0.011	2	107.8356	9.249	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6,6]C[6a]H)	H(CC[6,6]C[6a]H)	C(C[6,6]C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(H)2	H(CC[6,6]C[6a]H)	H(CC[6,6]C[6a]H)	107.4190	0.000	1	107.4190	0.000	1	107.8356	9.249	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]Ga[3x6]2Si)(C[6a]C[6a]2)(H)2	H(CC[6,6]C[6a]H)	H(CC[6,6]C[6a]H)	C(C[6,6]Ga[3x6]2Si)(C[6a]C[6a]2)(H)2	H(CC[6,6]C[6a]H)	H(CC[6,6]C[6a]H)	106.9520	0.175	2	106.9520	0.031	2	107.8356	9.249	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]2C)(NCH)(H)2	H(CC[6,6]HN)	H(CC[6,6]HN)	C(C[6,6]C[3x6]2C)(NCH)(H)2	H(CC[6,6]HN)	H(CC[6,6]HN)	107.7840	0.000	1	107.7840	0.000	1	107.9213	0.011	7	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[4,6,6]C[6,6]H)(NCH)(H)2	H(CC[6,6]HN)	H(CC[6,6]HN)	C(C[6,6]C[4,6,6]C[6,6]H)(NCH)(H)2	H(CC[6,6]HN)	H(CC[6,6]HN)	107.8815	0.053	2	107.8815	0.003	2	107.9213	0.011	7	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[4,6,6]C[6,6]H)(NPdC)(H)2	H(CC[6,6]HN)	H(CC[6,6]HN)	C(C[6,6]C[4,6,6]C[6,6]H)(NPdC)(H)2	H(CC[6,6]HN)	H(CC[6,6]HN)	107.9755	0.097	4	107.9755	0.009	4	107.9213	0.011	7	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	H(CC[6,6]N[5]H)	H(CC[6,6]N[5]H)	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	H(CC[6,6]N[5]H)	H(CC[6,6]N[5]H)	107.7025	0.238	13	107.7025	0.057	13	107.7025	0.057	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:B[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(B[5]O[5]2)(H)2	H(CB[5]C[6]H)	H(CB[5]C[6]H)	C(C[6]C[6]2H)(B[5]O[5]2)(H)2	H(CB[5]C[6]H)	H(CB[5]C[6]H)	107.1090	0.000	1	107.1090	0.000	1	107.1090	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,6]C[6,6]H)(CC[5]H)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[3,6]C[6,6]H)(CC[5]H)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6890	0.000	1	107.6890	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,6]C[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[3,6]C[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6310	0.000	1	107.6310	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[3x6]C[6]H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[3x6]C[6]H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8340	0.000	1	107.8340	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[3x6]C[6]O)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[3x6]C[6]O)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6020	0.000	1	107.6020	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,5,6,6]C[6]C)(CC[6]H)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,5,6,6]C[6]C)(CC[6]H)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.0840	0.000	1	107.0840	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6,6]C[6]H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6,6]C[6]H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	109.0110	0.000	1	109.0110	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]2C)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]2C)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2800	0.974	2	107.2800	0.949	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6,6]C)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6,6]C)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7430	0.000	1	107.7430	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6,6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6,6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7043	0.106	3	107.7043	0.011	3	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]C)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]C)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2780	0.939	3	107.2780	0.881	3	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]C)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]C)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2160	0.000	1	107.2160	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]C)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]C)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5260	0.161	2	107.5260	0.026	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4950	0.356	11	107.4950	0.127	11	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.9148	1.035	5	107.9148	1.071	5	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(CC[5]C)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CC[5]C)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.0670	0.031	2	107.0670	0.001	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4731	0.254	15	107.4731	0.065	15	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(CHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4390	0.000	1	107.4390	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(CHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6820	0.140	2	107.6820	0.020	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6151	0.758	10	107.6151	0.574	10	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6a]C[6])(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6a]C[6])(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.7140	1.060	4	106.7140	1.123	4	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]N[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]N[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.4630	0.387	2	108.4630	0.150	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]O[6]C)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]O[6]C)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3570	0.021	2	107.3570	0.000	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]O[6]H)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]O[6]H)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.2860	0.000	1	106.2860	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5]C[6]2)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5]C[6]2)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6820	0.000	1	107.6820	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5]C[6]2)(CNO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5]C[6]2)(CNO)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.0210	0.000	1	108.0210	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5]C[6]N[6])(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5]C[6]N[6])(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8590	0.030	2	107.8590	0.001	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[5,6]H)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5a,6]C[5,6]H)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7650	0.207	3	107.7650	0.043	3	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6]C)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5a,6]C[6]C)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4780	0.000	1	107.4780	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6]C)(CNO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5a,6]C[6]C)(CNO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.1290	0.000	1	107.1290	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6]C)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5a,6]C[6]C)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.5582	2.662	5	108.5582	7.086	5	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6]H)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5a,6]C[6]H)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8560	0.000	1	107.8560	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]N[6]H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5a,6]N[6]H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.1450	0.000	1	108.1450	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]N[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5a,6]N[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.1277	0.031	3	108.1277	0.001	3	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]O[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5a,6]O[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6963	0.062	6	107.6963	0.004	6	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]2H)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]2H)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3510	0.000	1	107.3510	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]C)(CCC)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CCC)(H)2	H(CC[6]CH)	H(CC[6]CH)	111.2690	0.000	1	111.2690	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]C)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5458	0.242	6	107.5458	0.059	6	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]C)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.3040	0.000	1	106.3040	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]C)(CC[5a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CC[5a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3730	0.045	2	107.3730	0.002	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]C)(CC[6]H)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CC[6]H)(H)2	H(CC[6]CH)	H(CC[6]CH)	109.0830	2.570	2	109.0830	6.603	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]C)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.4990	1.335	2	108.4990	1.782	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(CCC)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CCC)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3220	0.304	3	107.3220	0.092	3	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.1070	0.257	3	108.1070	0.066	3	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.9845	0.839	2	106.9845	0.704	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(CC[5]H)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[5]H)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8145	0.223	2	107.8145	0.050	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(CC[5a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[5a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5330	0.000	1	107.5330	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.0960	0.735	4	107.0960	0.540	4	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(CHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4795	0.022	2	107.4795	0.000	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(CNO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CNO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4900	0.000	1	107.4900	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5107	0.975	15	107.5107	0.950	15	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]O)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]O)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.9065	0.197	2	107.9065	0.039	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]N[6]H)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]N[6]H)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8990	0.000	1	107.8990	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]N[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]N[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.9220	0.049	2	107.9220	0.002	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]N[6]O)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]N[6]O)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.3495	0.936	2	108.3495	0.875	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]2C)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]2C)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5390	0.000	1	107.5390	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]2H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]2H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8710	0.000	1	107.8710	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]2H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]2H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6275	0.547	4	107.6275	0.299	4	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]2O)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]2O)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3900	0.000	1	107.3900	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]2O)(CClC)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]2O)(CClC)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4450	0.000	1	107.4450	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[5,6]C)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[5,6]C)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3480	0.000	1	107.3480	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[5,6]H)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[5,6]H)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7341	0.143	8	107.7341	0.020	8	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[5,6]H)(CHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[5,6]H)(CHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6430	0.000	1	107.6430	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[5,6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[5,6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3810	0.000	1	107.3810	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[5]C[6])(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[5]C[6])(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7340	0.000	1	107.7340	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6,6]C)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6,6]C)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5140	0.069	2	107.5140	0.005	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(CCF)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]C)(CCF)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3260	0.000	1	107.3260	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]C)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6118	0.167	4	107.6118	0.028	4	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]C)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4400	0.075	3	107.4400	0.006	3	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(CNO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]C)(CNO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6505	0.343	2	107.6505	0.118	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]C)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.3957	0.866	3	108.3957	0.750	3	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7330	0.294	2	107.7330	0.087	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6140	0.000	1	107.6140	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(CC[6]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(CC[6]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5010	0.000	1	107.5010	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(CC[6a]C[5])(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(CC[6a]C[5])(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8260	0.000	1	107.8260	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6984	0.179	21	107.6984	0.032	21	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(CHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(CHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5810	0.758	2	107.5810	0.575	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(CHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(CHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5280	0.000	1	107.5280	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(CNO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(CNO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6210	0.000	1	107.6210	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6550	0.220	16	107.6550	0.048	16	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]O)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]O)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.4875	1.319	2	108.4875	1.739	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]O)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]O)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6790	0.043	3	107.6790	0.002	3	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]O)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]O)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.1330	0.000	1	108.1330	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6a]C[6])(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6a]C[6])(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2680	0.000	1	107.2680	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[5,6]H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]N[5,6]H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.1770	0.000	1	108.1770	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[5,6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]N[5,6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7910	0.000	1	107.7910	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6]H)(CCC)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]N[6]H)(CCC)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.1970	0.000	1	108.1970	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6]H)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]N[6]H)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4573	0.350	3	107.4573	0.123	3	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7084	0.142	7	107.7084	0.020	7	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5060	0.179	5	107.5060	0.032	5	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6]H)(CNO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]N[6]H)(CNO)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.3820	0.095	2	108.3820	0.009	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]N[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.2102	0.903	9	108.2102	0.815	9	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]O[6]C)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]O[6]C)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6870	0.000	1	107.6870	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]O[6]H)(CC[6a]C[5])(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]O[6]H)(CC[6a]C[5])(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7800	0.000	1	107.7800	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]O[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]O[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.0397	0.246	3	108.0397	0.061	3	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CBrC)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CBrC)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5540	0.000	1	107.5540	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CCC)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CCC)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.1880	0.611	3	107.1880	0.373	3	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5660	0.685	29	107.5660	0.469	29	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8263	0.144	3	107.8263	0.021	3	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CC[6]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CC[6]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.9740	0.000	2	106.9740	0.000	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CC[6a]C)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CC[6a]C)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8260	0.000	1	107.8260	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7440	0.264	2	107.7440	0.070	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5790	0.000	1	107.5790	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CNO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CNO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7956	1.244	11	107.7956	1.548	11	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5421	1.026	27	107.5421	1.052	27	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Cl)(CC[5]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2Cl)(CC[5]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5795	0.015	2	107.5795	0.000	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CBrC)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CBrC)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.4630	0.000	1	108.4630	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CCC)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CCC)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.7110	0.990	2	108.7110	0.980	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6242	0.498	48	107.6242	0.248	48	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CCN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CCN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7985	0.103	2	107.7985	0.011	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5726	0.771	13	107.5726	0.595	13	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CC[3]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CC[3]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7180	0.000	1	107.7180	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CC[5]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CC[5]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.5475	1.749	4	108.5475	3.058	4	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CC[5a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CC[5a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6120	0.352	3	107.6120	0.124	3	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CC[6]C)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CC[6]C)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3650	0.209	2	107.3650	0.044	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CC[6a]N)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CC[6a]N)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.0330	0.000	2	108.0330	0.000	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.0669	1.229	14	107.0669	1.510	14	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.1380	0.000	1	108.1380	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.1170	0.000	1	108.1170	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CNO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CNO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7053	0.406	6	107.7053	0.165	6	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CNS)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CNS)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.0440	0.000	1	107.0440	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CN[5]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CN[5]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6030	0.000	1	107.6030	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8530	0.755	37	107.8530	0.570	37	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2N)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2N)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6403	0.167	3	107.6403	0.028	3	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2N)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2N)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5774	3.473	7	107.5774	12.061	7	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O)(CCC)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2O)(CCC)(H)2	H(CC[6]CH)	H(CC[6]CH)	109.2920	0.000	1	109.2920	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2O)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6622	0.111	5	107.6622	0.012	5	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O)(CCN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2O)(CCN)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.1180	0.000	1	106.1180	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2O)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5182	0.129	4	107.5182	0.017	4	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O)(CC[5]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2O)(CC[5]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.1475	0.066	2	107.1475	0.004	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2O)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7687	0.287	3	107.7687	0.082	3	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2S)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2S)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	112.2140	6.292	2	112.2140	39.587	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]3)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]3)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3600	0.000	1	107.3600	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]C)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6]C)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6327	0.253	3	107.6327	0.064	3	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]C)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6]C)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5580	0.000	1	107.5580	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.7255	1.723	8	106.7255	2.969	8	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5727	0.201	6	107.5727	0.040	6	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(CC[4]C)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CC[4]C)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.7630	0.000	1	106.7630	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7065	0.221	4	107.7065	0.049	4	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(CHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6870	0.000	1	107.6870	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(CNO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CNO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.9085	0.053	2	107.9085	0.003	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4674	3.309	15	107.4674	10.949	15	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]C)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]C)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4223	0.893	7	107.4223	0.798	7	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]C)(CC[3]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]C)(CC[3]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6240	0.119	2	107.6240	0.014	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]C)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]C)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7210	0.000	1	107.7210	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(CCC)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CCC)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.1587	3.191	4	108.1587	10.182	4	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.9094	0.601	7	107.9094	0.361	7	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8192	0.227	8	107.8192	0.051	8	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(CC[6]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CC[6]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	104.9310	0.000	1	104.9310	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8882	0.529	13	107.8882	0.279	13	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(CNO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CNO)(H)2	H(CC[6]CH)	H(CC[6]CH)	109.4735	0.013	2	109.4735	0.000	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6978	0.488	35	107.6978	0.239	35	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(COS)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(COS)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7990	0.000	1	107.7990	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]O)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]O)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.1115	0.021	2	108.1115	0.000	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]S[6]H)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]S[6]H)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.0000	0.000	1	108.0000	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]S[6]H)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]S[6]H)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5193	0.125	3	107.5193	0.016	3	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6a]C[6]2)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6a]C[6]2)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3110	0.033	2	107.3110	0.001	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6a]C[6]N[6])(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6a]C[6]N[6])(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8680	0.000	1	107.8680	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]N[5,6]C[6]H)(CHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]N[5,6]C[6]H)(CHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4040	0.167	2	107.4040	0.028	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]N[5a,6]C[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]N[5a,6]C[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.9280	0.220	4	107.9280	0.048	4	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]N[5a,6]C[6]H)(COS)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]N[5a,6]C[6]H)(COS)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8470	0.000	1	107.8470	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]N[6,6]C[6]H)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]N[6,6]C[6]H)(CC[6a]O)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8015	0.053	2	107.8015	0.003	2	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]2C)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]N[6]2C)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2770	0.000	1	107.2770	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]O[6]H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]N[6]O[6]H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8030	0.000	1	107.8030	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]S[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]N[6]S[6]H)(COO)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.0030	0.000	1	108.0030	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]O[6]2H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]O[6]2H)(CCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7990	0.000	1	107.7990	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(C[6]S[6]2C)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]S[6]2C)(CCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4560	0.000	1	107.4560	0.000	1	107.6766	1.034	670	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(C[5]C[5]N[5])(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[6]C[6,6]C[6]H)(C[5]C[5]N[5])(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	107.0610	0.000	1	107.0610	0.000	1	107.4702	0.095	5	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(C[5]C[5]N[5])(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[6]C[6]N[6]H)(C[5]C[5]N[5])(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	107.7250	0.167	2	107.7250	0.028	2	107.4702	0.095	5	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(C[5]N[5]O[5])(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[6]C[6]N[6]H)(C[5]N[5]O[5])(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	107.4200	0.221	2	107.4200	0.049	2	107.4702	0.095	5	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]O)(C[5a]C[5a]O[5a])(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	C(C[6]C[6,6a]C[6]O)(C[5a]C[5a]O[5a])(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	105.2340	0.000	1	105.2340	0.000	1	107.0336	1.119	5	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]O)(C[5a]C[5a]S[5a])(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	C(C[6]C[6,6a]C[6]O)(C[5a]C[5a]S[5a])(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	107.0070	0.000	1	107.0070	0.000	1	107.0336	1.119	5	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]O)(C[5a]N[5a]S[5a])(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	C(C[6]C[6,6a]C[6]O)(C[5a]N[5a]S[5a])(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	107.8150	0.000	1	107.8150	0.000	1	107.0336	1.119	5	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(C[5a]C[5a]2)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	C(C[6]C[6]N[6]H)(C[5a]C[5a]2)(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	107.7550	0.000	1	107.7550	0.000	1	107.0336	1.119	5	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]N[5a,6]C[6]H)(C[5a]C[5a]N[5a])(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	C(C[6]N[5a,6]C[6]H)(C[5a]C[5a]N[5a])(H)2	H(CC[5a]C[6]H)	H(CC[5a]C[6]H)	107.3570	0.000	1	107.3570	0.000	1	107.0336	1.119	5	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5]C[6]2)(C[6]C[6]N[6])(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[5]C[6]2)(C[6]C[6]N[6])(H)2	H(CC[6]2H)	H(CC[6]2H)	107.2040	0.000	1	107.2040	0.000	1	107.4686	0.355	21	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]C)(C[6]C[6]2)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6,6]C[6]C)(C[6]C[6]2)(H)2	H(CC[6]2H)	H(CC[6]2H)	107.0130	0.249	2	107.0130	0.062	2	107.4686	0.355	21	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]O[6]H)(C[6]C[3,6]C[6])(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6,6]O[6]H)(C[6]C[3,6]C[6])(H)2	H(CC[6]2H)	H(CC[6]2H)	108.1920	0.000	1	108.1920	0.000	1	107.4686	0.355	21	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]O[6]H)(C[6]C[5,6]C[6])(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6,6]O[6]H)(C[6]C[5,6]C[6])(H)2	H(CC[6]2H)	H(CC[6]2H)	108.0680	0.000	1	108.0680	0.000	1	107.4686	0.355	21	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]2H)(C[6]C[6]2)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6,6a]2H)(C[6]C[6]2)(H)2	H(CC[6]2H)	H(CC[6]2H)	107.0900	0.000	1	107.0900	0.000	1	107.4686	0.355	21	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6])(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6])(H)2	H(CC[6]2H)	H(CC[6]2H)	108.3980	0.000	1	108.3980	0.000	1	107.4686	0.355	21	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(C[6]C[6]2)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6]2C)(C[6]C[6]2)(H)2	H(CC[6]2H)	H(CC[6]2H)	107.2817	0.236	3	107.2817	0.056	3	107.4686	0.355	21	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Dy)(C[6]C[6]2)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6]2Dy)(C[6]C[6]2)(H)2	H(CC[6]2H)	H(CC[6]2H)	107.0410	0.000	1	107.0410	0.000	1	107.4686	0.355	21	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Er)(C[6]C[6]2)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6]2Er)(C[6]C[6]2)(H)2	H(CC[6]2H)	H(CC[6]2H)	107.0990	0.070	3	107.0990	0.005	3	107.4686	0.355	21	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Gd)(C[6]C[6]2)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6]2Gd)(C[6]C[6]2)(H)2	H(CC[6]2H)	H(CC[6]2H)	106.9650	0.000	1	106.9650	0.000	1	107.4686	0.355	21	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	H(CC[6]2H)	H(CC[6]2H)	107.9120	0.965	4	107.9120	0.931	4	107.4686	0.355	21	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	H(CC[6]2H)	H(CC[6]2H)	107.5310	0.000	1	107.5310	0.000	1	107.4686	0.355	21	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6]C[6]N[6])(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6]N[6]H)(C[6]C[6]N[6])(H)2	H(CC[6]2H)	H(CC[6]2H)	107.5360	0.000	1	107.5360	0.000	1	107.4686	0.355	21	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.6710	0.069	4	107.6710	0.005	4	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.3570	0.000	1	107.3570	0.000	1	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[3x6]C[6]F)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[3x6]C[6]F)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.7420	0.000	1	107.7420	0.000	1	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[3x6]C[6]O[6])(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[3x6]C[6]O[6])(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.1880	0.000	1	107.1880	0.000	1	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.4860	0.000	1	107.4860	0.000	1	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.7002	0.369	4	107.7002	0.136	4	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.4546	0.349	5	107.4546	0.122	5	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]N[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[5,6]N[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.7200	0.000	1	107.7200	0.000	1	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.6540	0.000	1	107.6540	0.000	1	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]S[6]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[5,6]S[6]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.0880	0.000	1	107.0880	0.000	1	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]N[6]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[5a,6]N[6]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.5845	0.008	2	107.5845	0.000	2	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	108.6750	1.441	3	108.6750	2.077	3	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.6110	0.154	9	107.6110	0.024	9	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]N[6a])(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]N[6a])(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	108.5400	1.220	2	108.5400	1.490	2	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]N[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6,6]N[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.4050	0.000	1	107.4050	0.000	1	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]2C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]2C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.3740	0.190	4	107.3740	0.036	4	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.3784	0.175	10	107.3784	0.031	10	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]2O)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]2O)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.1170	0.000	1	107.1170	0.000	1	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.9895	0.039	2	107.9895	0.002	2	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.4639	0.176	8	107.4639	0.031	8	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	108.4015	1.738	4	108.4015	3.021	4	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]N)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]C[6]N)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.7830	0.017	2	107.7830	0.000	2	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.7480	0.000	1	107.7480	0.000	1	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[5a,6]O)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]N[5a,6]O)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.5810	0.000	1	107.5810	0.000	1	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.6178	0.227	11	107.6178	0.052	11	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]O[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]O[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.3570	0.000	1	107.3570	0.000	1	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Co)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6]2Co)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.8120	0.000	1	107.8120	0.000	1	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Pt)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6]2Pt)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	108.0980	0.000	1	108.0980	0.000	1	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Rh)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6]2Rh)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	109.4635	0.025	2	109.4635	0.001	2	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.5901	0.086	8	107.5901	0.007	8	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.7887	0.647	115	107.7887	0.419	115	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.6783	0.328	3	107.6783	0.107	3	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]S)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6]S)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.4260	0.076	3	107.4260	0.006	3	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.6620	0.252	3	107.6620	0.063	3	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.6164	0.425	10	107.6164	0.181	10	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.4425	0.275	2	107.4425	0.076	2	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.3015	0.214	2	107.3015	0.046	2	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.4890	0.000	1	107.4890	0.000	1	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	108.2338	0.822	4	108.2338	0.676	4	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]N[5a,6]C[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]N[5a,6]C[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.6820	0.000	1	107.6820	0.000	1	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.7448	0.222	6	107.7448	0.049	6	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]N[6,6a]C[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	C(C[6]N[6,6a]C[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[6]H)	H(CC[6a]C[6]H)	107.7170	0.083	4	107.7170	0.007	4	107.7321	0.358	248	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,5,6,6]O[6]H)(NOO)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[5,5,6,6]O[6]H)(NOO)(H)2	H(CC[6]HN)	H(CC[6]HN)	112.0565	0.196	2	112.0565	0.038	2	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]2H)(NOO)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[5,6]2H)(NOO)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.7880	0.000	1	107.7880	0.000	1	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(NC[6a]2)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[5,6]C[6]H)(NC[6a]2)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.5840	0.000	1	107.5840	0.000	1	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(NHS)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[5,6]C[6]H)(NHS)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.0300	0.000	1	108.0300	0.000	1	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(NOO)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[5,6]C[6]H)(NOO)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.6585	0.326	2	107.6585	0.106	2	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]O[6]H)(NC[6a]C)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[5,6]O[6]H)(NC[6a]C)(H)2	H(CC[6]HN)	H(CC[6]HN)	110.6647	2.470	3	110.6647	6.100	3	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6]H)(NCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[5a,6]C[6]H)(NCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.8550	0.000	1	108.8550	0.000	1	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6]H)(NHS)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[5a,6]C[6]H)(NHS)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.7330	0.000	1	107.7330	0.000	1	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6]H)(NOO)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[5a,6]C[6]H)(NOO)(H)2	H(CC[6]HN)	H(CC[6]HN)	109.9947	3.857	3	109.9947	14.880	3	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]C)(NCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6,6]C[6]C)(NCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.4760	0.188	2	107.4760	0.035	2	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]C)(NC[6a]H)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6,6]C[6]C)(NC[6a]H)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9195	0.118	2	107.9195	0.014	2	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]C)(NHP)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6,6]C[6]C)(NHP)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8130	0.000	1	107.8130	0.000	1	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(NOO)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6,6]C[6]H)(NOO)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.1570	0.175	3	108.1570	0.031	3	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]2C[6])(NCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6,6a]2C[6])(NCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.6240	0.000	1	108.6240	0.000	1	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[5,6]H)(NOO)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6,6a]C[5,6]H)(NOO)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8857	0.115	3	107.8857	0.013	3	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6,6]H)(NOO)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6,6a]C[6,6]H)(NOO)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.6387	0.248	3	107.6387	0.061	3	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(NCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6,6a]C[6]C)(NCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.5280	0.000	1	107.5280	0.000	1	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(NC[6a]C)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6,6a]C[6]C)(NC[6a]C)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.7740	0.000	1	107.7740	0.000	1	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(NOO)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6,6a]C[6]C)(NOO)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.7950	0.000	1	107.7950	0.000	1	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(NSS)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6,6a]C[6]C)(NSS)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.2540	0.000	1	107.2540	0.000	1	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(NHS)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6,6a]C[6]H)(NHS)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9060	0.000	1	107.9060	0.000	1	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9187	0.261	21	107.9187	0.068	21	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6a]C[6])(NHS)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6,6a]C[6a]C[6])(NHS)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8030	0.083	2	107.8030	0.007	2	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]O[6]H)(NOO)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6,6a]O[6]H)(NOO)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.1440	0.000	1	108.1440	0.000	1	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(NCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2C)(NCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.0793	1.874	20	108.0793	3.512	20	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(NC[6a]C)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2C)(NC[6a]C)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.6580	0.020	2	107.6580	0.000	2	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(NC[6a]H)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2C)(NC[6a]H)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.6580	0.167	4	107.6580	0.028	4	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(NHN)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2C)(NHN)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.7130	0.000	1	107.7130	0.000	1	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(NHS)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2C)(NHS)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.2080	0.113	4	108.2080	0.013	4	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(NOO)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2C)(NOO)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.1640	0.440	2	107.1640	0.193	2	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(NCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2H)(NCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.2574	1.125	18	108.2574	1.265	18	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(NCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2H)(NCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.1005	1.174	10	108.1005	1.377	10	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(NHS)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2H)(NHS)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8647	0.062	3	107.8647	0.004	3	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(NOO)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2H)(NOO)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.6176	0.240	5	107.6176	0.057	5	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O)(NCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2O)(NCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.7773	0.009	3	107.7773	0.000	3	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O)(NHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2O)(NHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.4880	0.000	1	107.4880	0.000	1	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Ru)(NCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2Ru)(NCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.7270	0.199	3	107.7270	0.040	3	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]C)(NCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6]C)(NCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.6430	0.141	4	107.6430	0.020	4	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]C)(NCuC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6]C)(NCuC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8130	0.000	1	107.8130	0.000	1	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(NAlC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6]H)(NAlC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.4172	0.195	4	108.4172	0.038	4	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(NFeC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6]H)(NFeC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.5950	0.000	1	108.5950	0.000	1	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(NCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]O[6]H)(NCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.5385	0.257	2	107.5385	0.066	2	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(NCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]O[6]H)(NCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.5160	1.206	4	108.5160	1.454	4	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]O)(NCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]O[6]O)(NCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.8015	0.846	2	108.8015	0.716	2	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6a]C[6]2)(NCS)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6a]C[6]2)(NCS)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.4980	0.000	1	107.4980	0.000	1	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6a]C[6]2)(NC[6a]S)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6a]C[6]2)(NC[6a]S)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.4580	0.000	2	107.4580	0.000	2	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	C-4:	C-4:	C(C[6]S[6]2C)(NCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]S[6]2C)(NCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	105.3050	0.000	1	105.3050	0.000	1	108.0943	1.517	157	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(N[5]C[5]2)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(C[6]C[5,6]C[6]H)(N[5]C[5]2)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	107.9265	0.189	2	107.9265	0.036	2	108.0163	0.302	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]2C[6])(N[5]C[5]2)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(C[6]C[6,6a]2C[6])(N[5]C[5]2)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	107.2790	0.000	1	107.2790	0.000	1	108.0163	0.302	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(N[5]C[5]2)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(C[6]C[6]2C)(N[5]C[5]2)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	107.4690	0.000	1	107.4690	0.000	1	108.0163	0.302	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Cr)(N[5]C[5]2)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(C[6]C[6]2Cr)(N[5]C[5]2)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	107.8210	0.209	2	107.8210	0.044	2	108.0163	0.302	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	108.1399	0.746	10	108.1399	0.556	10	108.0163	0.302	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Pd)(N[5]C[5]2)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(C[6]C[6]2Pd)(N[5]C[5]2)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	107.9740	0.000	1	107.9740	0.000	1	108.0163	0.302	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Ru)(N[5]C[5]2)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(C[6]C[6]2Ru)(N[5]C[5]2)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	108.5936	0.047	5	108.5936	0.002	5	108.0163	0.302	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]C)(N[5]C[5]2)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(C[6]C[6]O[6]C)(N[5]C[5]2)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	107.5335	0.026	2	107.5335	0.001	2	108.0163	0.302	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	107.8062	0.181	6	107.8062	0.033	6	108.0163	0.302	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]O[6]H)(N[5a]C[5a]N[5a])(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	C(C[6]C[5,6]O[6]H)(N[5a]C[5a]N[5a])(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	108.0485	0.173	2	108.0485	0.030	2	107.7362	0.156	4	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6]C)(N[5a]C[5a,6a]2)(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	C(C[6]C[5a,6]C[6]C)(N[5a]C[5a,6a]2)(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	107.2700	0.000	1	107.2700	0.000	1	107.7362	0.156	4	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]C)(N[5a]C[5a]2)(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	C(C[6]C[6,6]C[6]C)(N[5a]C[5a]2)(H)2	H(CN[5a]C[6]H)	H(CN[5a]C[6]H)	107.5780	0.000	1	107.5780	0.000	1	107.7362	0.156	4	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(N[6]C[6]2)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	C(C[6]C[6,6]C[6]H)(N[6]C[6]2)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	108.1970	0.000	1	108.1970	0.000	1	108.0595	0.029	4	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(N[6]C[6]2)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	C(C[6]C[6]O[6]H)(N[6]C[6]2)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	107.9930	0.243	2	107.9930	0.059	2	108.0595	0.029	4	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]O)(N[6]C[6]2)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	C(C[6]C[6]O[6]O)(N[6]C[6]2)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	108.0550	0.000	1	108.0550	0.000	1	108.0595	0.029	4	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(N[6a]C[6a]2)(H)2	H(CN[6a]C[6]H)	H(CN[6a]C[6]H)	C(C[6]C[6]O[6]H)(N[6a]C[6a]2)(H)2	H(CN[6a]C[6]H)	H(CN[6a]C[6]H)	107.8340	0.000	1	107.8340	0.000	1	107.8340	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:P-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(PC[6a]2)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]2C)(PC[6a]2)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.2160	0.000	1	108.2160	0.000	1	108.2160	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(SFe2)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]2C)(SFe2)(H)2	H(CC[6]HS)	H(CC[6]HS)	106.0650	1.068	4	106.0650	1.141	4	108.1268	3.123	24	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O)(SC[6a]O)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]2O)(SC[6a]O)(H)2	H(CC[6]HS)	H(CC[6]HS)	110.9575	5.172	2	110.9575	26.755	2	108.1268	3.123	24	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Ru)(SPdC)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]2Ru)(SPdC)(H)2	H(CC[6]HS)	H(CC[6]HS)	108.2590	0.034	2	108.2590	0.001	2	108.1268	3.123	24	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(SNi2)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6]H)(SNi2)(H)2	H(CC[6]HS)	H(CC[6]HS)	108.1627	0.114	3	108.1627	0.013	3	108.1268	3.123	24	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(SNiC)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]N[6]H)(SNiC)(H)2	H(CC[6]HS)	H(CC[6]HS)	108.1367	0.246	7	108.1367	0.061	7	108.1268	3.123	24	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]C)(SC[6a]O)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]O[6]C)(SC[6a]O)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.8690	1.178	2	107.8690	1.388	2	108.1268	3.123	24	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(SC[6a]O)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]O[6]H)(SC[6a]O)(H)2	H(CC[6]HS)	H(CC[6]HS)	108.1690	0.168	2	108.1690	0.028	2	108.1268	3.123	24	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:S-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]S[6]H)(SCuC)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]S[6]H)(SCuC)(H)2	H(CC[6]HS)	H(CC[6]HS)	109.4150	1.822	2	109.4150	3.318	2	108.1268	3.123	24	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:Se-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(SeFe2)(H)2	H(CC[6]SeH)	H(CC[6]SeH)	C(C[6]C[6]2C)(SeFe2)(H)2	H(CC[6]SeH)	H(CC[6]SeH)	109.1107	3.091	3	109.1107	9.557	3	108.8517	6.640	4	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	C[6]-4:Se-3:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(SeOO)(H)2	H(CC[6]SeH)	H(CC[6]SeH)	C(C[6]C[6]O[6]H)(SeOO)(H)2	H(CC[6]SeH)	H(CC[6]SeH)	108.0750	0.000	1	108.0750	0.000	1	108.8517	6.640	4	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Ge-4:C-3:H-1:H-1:	C-4:	C-4:	C(GeC[6a]3)(CCH)(H)2	H(CGeCH)	H(CGeCH)	C(GeC[6a]3)(CCH)(H)2	H(CGeCH)	H(CGeCH)	107.4510	0.000	1	107.4510	0.000	1	107.4510	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Ge[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(Ge[5]C[5]2N)(CCC)(H)2	H(CGe[5]CH)	H(CGe[5]CH)	C(Ge[5]C[5]2N)(CCC)(H)2	H(CGe[5]CH)	H(CGe[5]CH)	107.6570	0.000	1	107.6570	0.000	1	107.6570	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	In-4:C-3:H-1:H-1:	C-4:	C-4:	C(InBr2N)(CCH)(H)2	H(CInCH)	H(CInCH)	C(InBr2N)(CCH)(H)2	H(CInCH)	H(CInCH)	109.5150	0.000	1	109.5150	0.000	1	109.5150	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	In[4]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(In[4]P[4]2C)(C[6a]C[6a]2)(H)2	H(CC[6a]In[4]H)	H(CC[6a]In[4]H)	C(In[4]P[4]2C)(C[6a]C[6a]2)(H)2	H(CC[6a]In[4]H)	H(CC[6a]In[4]H)	107.7145	0.886	2	107.7145	0.785	2	107.7145	0.785	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NAgCC)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NAgCC)(CCH)(H)2	H(CCHN)	H(CCHN)	107.7877	0.104	6	107.7877	0.011	6	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NAlCC)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NAlCC)(CCH)(H)2	H(CCHN)	H(CCHN)	107.7025	0.050	2	107.7025	0.003	2	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NAlCC)(COO)(H)2	H(CCHN)	H(CCHN)	C(NAlCC)(COO)(H)2	H(CCHN)	H(CCHN)	108.3071	0.678	10	108.3071	0.460	10	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NB[5]HH)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NB[5]HH)(CCH)(H)2	H(CCHN)	H(CCHN)	107.7560	0.000	1	107.7560	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NC3)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NC3)(CCH)(H)2	H(CCHN)	H(CCHN)	107.5550	6.875	10	107.5550	47.272	10	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NC3)(CHH)(H)2	H(CCHN)	H(CCHN)	C(NC3)(CHH)(H)2	H(CCHN)	H(CCHN)	109.6913	4.328	7	109.6913	18.728	7	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NC3)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NC3)(CNO)(H)2	H(CCHN)	H(CCHN)	108.6124	1.946	8	108.6124	3.787	8	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NC3)(COO)(H)2	H(CCHN)	H(CCHN)	C(NC3)(COO)(H)2	H(CCHN)	H(CCHN)	109.4357	2.112	54	109.4357	4.460	54	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCCH)(CCC)(H)2	H(CCHN)	H(CCHN)	C(NCCH)(CCC)(H)2	H(CCHN)	H(CCHN)	108.1380	0.000	1	108.1380	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCCH)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NCCH)(CCH)(H)2	H(CCHN)	H(CCHN)	107.8058	0.116	6	107.8058	0.013	6	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCCH)(CHH)(H)2	H(CCHN)	H(CCHN)	C(NCCH)(CHH)(H)2	H(CCHN)	H(CCHN)	128.3460	0.000	1	128.3460	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCCH)(CHO)(H)2	H(CCHN)	H(CCHN)	C(NCCH)(CHO)(H)2	H(CCHN)	H(CCHN)	108.0195	0.018	2	108.0195	0.000	2	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCCH)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NCCH)(CNO)(H)2	H(CCHN)	H(CCHN)	108.5234	0.858	5	108.5234	0.736	5	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCCH)(COO)(H)2	H(CCHN)	H(CCHN)	C(NCCH)(COO)(H)2	H(CCHN)	H(CCHN)	108.8272	1.772	58	108.8272	3.142	58	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCCN)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NCCN)(CCH)(H)2	H(CCHN)	H(CCHN)	107.8053	0.045	3	107.8053	0.002	3	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCCO)(COO)(H)2	H(CCHN)	H(CCHN)	C(NCCO)(COO)(H)2	H(CCHN)	H(CCHN)	107.6345	0.005	2	107.6345	0.000	2	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCHH)(CCC)(H)2	H(CCHN)	H(CCHN)	C(NCHH)(CCC)(H)2	H(CCHN)	H(CCHN)	109.4960	0.000	1	109.4960	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCHH)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NCHH)(CCH)(H)2	H(CCHN)	H(CCHN)	108.3257	0.729	4	108.3257	0.532	4	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCHH)(CCO)(H)2	H(CCHN)	H(CCHN)	C(NCHH)(CCO)(H)2	H(CCHN)	H(CCHN)	107.9865	0.008	2	107.9865	0.000	2	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCHH)(CHN)(H)2	H(CCHN)	H(CCHN)	C(NCHH)(CHN)(H)2	H(CCHN)	H(CCHN)	107.2350	0.000	1	107.2350	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCHH)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NCHH)(CNO)(H)2	H(CCHN)	H(CCHN)	108.3700	0.000	1	108.3700	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCHH)(COO)(H)2	H(CCHN)	H(CCHN)	C(NCHH)(COO)(H)2	H(CCHN)	H(CCHN)	108.2181	2.386	54	108.2181	5.694	54	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NC[3x6]HH)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NC[3x6]HH)(CCH)(H)2	H(CCHN)	H(CCHN)	107.9540	0.000	1	107.9540	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6]CH)(COO)(H)2	H(CCHN)	H(CCHN)	C(NC[6]CH)(COO)(H)2	H(CCHN)	H(CCHN)	108.1107	0.094	3	108.1107	0.009	3	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6]CoC)(COO)(H)2	H(CCHN)	H(CCHN)	C(NC[6]CoC)(COO)(H)2	H(CCHN)	H(CCHN)	107.7960	0.000	1	107.7960	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6]HH)(COO)(H)2	H(CCHN)	H(CCHN)	C(NC[6]HH)(COO)(H)2	H(CCHN)	H(CCHN)	108.1690	0.137	3	108.1690	0.019	3	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]CH)(COO)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]CH)(COO)(H)2	H(CCHN)	H(CCHN)	109.0545	0.005	2	109.0545	0.000	2	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]CoC)(COO)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]CoC)(COO)(H)2	H(CCHN)	H(CCHN)	107.8390	0.389	2	107.8390	0.151	2	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]NiC)(COO)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]NiC)(COO)(H)2	H(CCHN)	H(CCHN)	107.8090	0.520	2	107.8090	0.271	2	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]PdC)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]PdC)(CNO)(H)2	H(CCHN)	H(CCHN)	107.7180	0.148	4	107.7180	0.022	4	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]RhH)(COO)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]RhH)(COO)(H)2	H(CCHN)	H(CCHN)	107.6480	0.000	2	107.6480	0.000	2	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCdCC)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NCdCC)(CNO)(H)2	H(CCHN)	H(CCHN)	108.2155	0.012	2	108.2155	0.000	2	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCdCC)(COO)(H)2	H(CCHN)	H(CCHN)	C(NCdCC)(COO)(H)2	H(CCHN)	H(CCHN)	107.6003	0.232	3	107.6003	0.054	3	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCoCC)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NCoCC)(CNO)(H)2	H(CCHN)	H(CCHN)	107.7961	0.253	10	107.7961	0.064	10	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCoCC)(COO)(H)2	H(CCHN)	H(CCHN)	C(NCoCC)(COO)(H)2	H(CCHN)	H(CCHN)	108.4666	2.076	43	108.4666	4.309	43	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCoCH)(CHN)(H)2	H(CCHN)	H(CCHN)	C(NCoCH)(CHN)(H)2	H(CCHN)	H(CCHN)	99.2241	0.000	1	99.2241	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCoCH)(COO)(H)2	H(CCHN)	H(CCHN)	C(NCoCH)(COO)(H)2	H(CCHN)	H(CCHN)	107.9993	0.462	15	107.9993	0.214	15	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCoHH)(CCO)(H)2	H(CCHN)	H(CCHN)	C(NCoHH)(CCO)(H)2	H(CCHN)	H(CCHN)	106.0140	0.000	1	106.0140	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCoHH)(CHN)(H)2	H(CCHN)	H(CCHN)	C(NCoHH)(CHN)(H)2	H(CCHN)	H(CCHN)	108.4200	0.000	1	108.4200	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCoHH)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NCoHH)(CNO)(H)2	H(CCHN)	H(CCHN)	108.0513	0.061	3	108.0513	0.004	3	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCoHH)(COO)(H)2	H(CCHN)	H(CCHN)	C(NCoHH)(COO)(H)2	H(CCHN)	H(CCHN)	108.2093	0.153	12	108.2093	0.023	12	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCrCC)(COO)(H)2	H(CCHN)	H(CCHN)	C(NCrCC)(COO)(H)2	H(CCHN)	H(CCHN)	107.8985	0.163	2	107.8985	0.027	2	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCrCH)(COO)(H)2	H(CCHN)	H(CCHN)	C(NCrCH)(COO)(H)2	H(CCHN)	H(CCHN)	107.8970	0.048	4	107.8970	0.002	4	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCrHH)(COO)(H)2	H(CCHN)	H(CCHN)	C(NCrHH)(COO)(H)2	H(CCHN)	H(CCHN)	107.8260	0.000	1	107.8260	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCuCC)(CHN)(H)2	H(CCHN)	H(CCHN)	C(NCuCC)(CHN)(H)2	H(CCHN)	H(CCHN)	107.0820	0.000	1	107.0820	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCuCC)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NCuCC)(CNO)(H)2	H(CCHN)	H(CCHN)	107.8967	0.420	3	107.8967	0.176	3	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCuCC)(COO)(H)2	H(CCHN)	H(CCHN)	C(NCuCC)(COO)(H)2	H(CCHN)	H(CCHN)	107.9951	0.619	15	107.9951	0.383	15	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCuCH)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NCuCH)(CCH)(H)2	H(CCHN)	H(CCHN)	113.5650	0.000	1	113.5650	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCuCH)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NCuCH)(CNO)(H)2	H(CCHN)	H(CCHN)	107.6120	0.021	2	107.6120	0.000	2	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCuCH)(COO)(H)2	H(CCHN)	H(CCHN)	C(NCuCH)(COO)(H)2	H(CCHN)	H(CCHN)	107.9716	0.340	5	107.9716	0.116	5	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCuHH)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NCuHH)(CNO)(H)2	H(CCHN)	H(CCHN)	106.1260	5.577	3	106.1260	31.108	3	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NCuHH)(COO)(H)2	H(CCHN)	H(CCHN)	C(NCuHH)(COO)(H)2	H(CCHN)	H(CCHN)	107.9020	0.000	1	107.9020	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NFeCC)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NFeCC)(CCH)(H)2	H(CCHN)	H(CCHN)	107.6060	0.000	1	107.6060	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NFeCC)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NFeCC)(CNO)(H)2	H(CCHN)	H(CCHN)	108.0688	0.255	6	108.0688	0.065	6	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NFeCC)(COO)(H)2	H(CCHN)	H(CCHN)	C(NFeCC)(COO)(H)2	H(CCHN)	H(CCHN)	108.1204	0.627	56	108.1204	0.393	56	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NFeCH)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NFeCH)(CCH)(H)2	H(CCHN)	H(CCHN)	108.2560	0.000	1	108.2560	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NFeCH)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NFeCH)(CNO)(H)2	H(CCHN)	H(CCHN)	108.1485	0.101	4	108.1485	0.010	4	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NFeCH)(COO)(H)2	H(CCHN)	H(CCHN)	C(NFeCH)(COO)(H)2	H(CCHN)	H(CCHN)	108.0160	0.000	1	108.0160	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NH3)(CCC)(H)2	H(CCHN)	H(CCHN)	C(NH3)(CCC)(H)2	H(CCHN)	H(CCHN)	107.8810	0.000	1	107.8810	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NH3)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NH3)(CCH)(H)2	H(CCHN)	H(CCHN)	107.6128	0.569	5	107.6128	0.324	5	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NH3)(CCN)(H)2	H(CCHN)	H(CCHN)	C(NH3)(CCN)(H)2	H(CCHN)	H(CCHN)	106.1100	0.000	1	106.1100	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NH3)(CHH)(H)2	H(CCHN)	H(CCHN)	C(NH3)(CHH)(H)2	H(CCHN)	H(CCHN)	107.6835	0.214	2	107.6835	0.046	2	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NH3)(CHN)(H)2	H(CCHN)	H(CCHN)	C(NH3)(CHN)(H)2	H(CCHN)	H(CCHN)	110.1670	7.901	2	110.1670	62.429	2	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NH3)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NH3)(CNO)(H)2	H(CCHN)	H(CCHN)	108.9174	1.680	73	108.9174	2.824	73	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NH3)(COO)(H)2	H(CCHN)	H(CCHN)	C(NH3)(COO)(H)2	H(CCHN)	H(CCHN)	108.0536	1.100	113	108.0536	1.210	113	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NIrHH)(COO)(H)2	H(CCHN)	H(CCHN)	C(NIrHH)(COO)(H)2	H(CCHN)	H(CCHN)	108.0796	0.218	14	108.0796	0.048	14	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NMgCC)(CHH)(H)2	H(CCHN)	H(CCHN)	C(NMgCC)(CHH)(H)2	H(CCHN)	H(CCHN)	108.9520	0.000	1	108.9520	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NMgCC)(COO)(H)2	H(CCHN)	H(CCHN)	C(NMgCC)(COO)(H)2	H(CCHN)	H(CCHN)	107.8640	0.086	2	107.8640	0.007	2	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NMnCC)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NMnCC)(CNO)(H)2	H(CCHN)	H(CCHN)	107.9700	0.251	5	107.9700	0.063	5	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NMnCC)(COO)(H)2	H(CCHN)	H(CCHN)	C(NMnCC)(COO)(H)2	H(CCHN)	H(CCHN)	107.9751	0.205	13	107.9751	0.042	13	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NMnCH)(COO)(H)2	H(CCHN)	H(CCHN)	C(NMnCH)(COO)(H)2	H(CCHN)	H(CCHN)	107.4370	0.000	1	107.4370	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NMoCC)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NMoCC)(CCH)(H)2	H(CCHN)	H(CCHN)	107.4980	0.000	1	107.4980	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NMoCC)(COO)(H)2	H(CCHN)	H(CCHN)	C(NMoCC)(COO)(H)2	H(CCHN)	H(CCHN)	107.9059	0.321	14	107.9059	0.103	14	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NMoCH)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NMoCH)(CNO)(H)2	H(CCHN)	H(CCHN)	108.3440	0.000	1	108.3440	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NMoCH)(COO)(H)2	H(CCHN)	H(CCHN)	C(NMoCH)(COO)(H)2	H(CCHN)	H(CCHN)	107.9270	0.244	4	107.9270	0.060	4	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NMoHH)(COO)(H)2	H(CCHN)	H(CCHN)	C(NMoHH)(COO)(H)2	H(CCHN)	H(CCHN)	107.7947	0.124	6	107.7947	0.015	6	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NNiCC)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NNiCC)(CCH)(H)2	H(CCHN)	H(CCHN)	107.8425	0.042	2	107.8425	0.002	2	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NNiCC)(CCN)(H)2	H(CCHN)	H(CCHN)	C(NNiCC)(CCN)(H)2	H(CCHN)	H(CCHN)	107.8132	0.225	26	107.8132	0.051	26	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NNiCC)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NNiCC)(CNO)(H)2	H(CCHN)	H(CCHN)	107.8761	0.303	18	107.8761	0.092	18	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NNiCC)(COO)(H)2	H(CCHN)	H(CCHN)	C(NNiCC)(COO)(H)2	H(CCHN)	H(CCHN)	108.6591	3.437	31	108.6591	11.810	31	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NNiCH)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NNiCH)(CNO)(H)2	H(CCHN)	H(CCHN)	108.0700	0.244	3	108.0700	0.059	3	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NNiCH)(COO)(H)2	H(CCHN)	H(CCHN)	C(NNiCH)(COO)(H)2	H(CCHN)	H(CCHN)	107.7058	0.059	5	107.7058	0.003	5	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NNiHH)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NNiHH)(CNO)(H)2	H(CCHN)	H(CCHN)	108.0025	0.142	4	108.0025	0.020	4	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NNiHH)(COO)(H)2	H(CCHN)	H(CCHN)	C(NNiHH)(COO)(H)2	H(CCHN)	H(CCHN)	110.8372	4.580	5	110.8372	20.976	5	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NOsHH)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NOsHH)(CCH)(H)2	H(CCHN)	H(CCHN)	106.7973	2.089	3	106.7973	4.365	3	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NPdCC)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NPdCC)(CNO)(H)2	H(CCHN)	H(CCHN)	107.6748	0.158	4	107.6748	0.025	4	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NPdCC)(COO)(H)2	H(CCHN)	H(CCHN)	C(NPdCC)(COO)(H)2	H(CCHN)	H(CCHN)	107.6657	0.374	3	107.6657	0.140	3	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NPdHH)(COO)(H)2	H(CCHN)	H(CCHN)	C(NPdHH)(COO)(H)2	H(CCHN)	H(CCHN)	107.7860	0.000	1	107.7860	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NPtCC)(COO)(H)2	H(CCHN)	H(CCHN)	C(NPtCC)(COO)(H)2	H(CCHN)	H(CCHN)	107.4000	2.841	2	107.4000	8.072	2	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NPtCH)(COO)(H)2	H(CCHN)	H(CCHN)	C(NPtCH)(COO)(H)2	H(CCHN)	H(CCHN)	108.0075	0.151	4	108.0075	0.023	4	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NPtHH)(COO)(H)2	H(CCHN)	H(CCHN)	C(NPtHH)(COO)(H)2	H(CCHN)	H(CCHN)	107.6440	0.027	2	107.6440	0.001	2	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NReCC)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NReCC)(CCH)(H)2	H(CCHN)	H(CCHN)	107.5080	0.000	1	107.5080	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NReCC)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NReCC)(CNO)(H)2	H(CCHN)	H(CCHN)	108.4035	0.986	2	108.4035	0.973	2	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NReCC)(COO)(H)2	H(CCHN)	H(CCHN)	C(NReCC)(COO)(H)2	H(CCHN)	H(CCHN)	107.5721	0.315	9	107.5721	0.099	9	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NReCH)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NReCH)(CNO)(H)2	H(CCHN)	H(CCHN)	108.1820	0.000	1	108.1820	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NReCH)(COO)(H)2	H(CCHN)	H(CCHN)	C(NReCH)(COO)(H)2	H(CCHN)	H(CCHN)	107.9190	0.359	4	107.9190	0.129	4	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NReHN)(COO)(H)2	H(CCHN)	H(CCHN)	C(NReHN)(COO)(H)2	H(CCHN)	H(CCHN)	100.7400	0.000	1	100.7400	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NRhHH)(CHS)(H)2	H(CCHN)	H(CCHN)	C(NRhHH)(CHS)(H)2	H(CCHN)	H(CCHN)	97.7809	0.000	1	97.7809	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NRuCC)(CHH)(H)2	H(CCHN)	H(CCHN)	C(NRuCC)(CHH)(H)2	H(CCHN)	H(CCHN)	109.7650	0.000	1	109.7650	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NRuCC)(CHN)(H)2	H(CCHN)	H(CCHN)	C(NRuCC)(CHN)(H)2	H(CCHN)	H(CCHN)	109.6270	0.000	1	109.6270	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NRuHH)(CCH)(H)2	H(CCHN)	H(CCHN)	C(NRuHH)(CCH)(H)2	H(CCHN)	H(CCHN)	107.7170	0.000	1	107.7170	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NRuHH)(COO)(H)2	H(CCHN)	H(CCHN)	C(NRuHH)(COO)(H)2	H(CCHN)	H(CCHN)	107.5220	0.184	8	107.5220	0.034	8	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NSnCC)(CCO)(H)2	H(CCHN)	H(CCHN)	C(NSnCC)(CCO)(H)2	H(CCHN)	H(CCHN)	107.7840	0.000	1	107.7840	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NSnCH)(COO)(H)2	H(CCHN)	H(CCHN)	C(NSnCH)(COO)(H)2	H(CCHN)	H(CCHN)	107.7780	0.000	1	107.7780	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NTcCC)(COO)(H)2	H(CCHN)	H(CCHN)	C(NTcCC)(COO)(H)2	H(CCHN)	H(CCHN)	107.2880	0.000	1	107.2880	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NZnCC)(CNO)(H)2	H(CCHN)	H(CCHN)	C(NZnCC)(CNO)(H)2	H(CCHN)	H(CCHN)	108.1991	0.601	7	108.1991	0.361	7	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NZnCC)(COO)(H)2	H(CCHN)	H(CCHN)	C(NZnCC)(COO)(H)2	H(CCHN)	H(CCHN)	107.8127	0.204	3	107.8127	0.042	3	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NZnCH)(COO)(H)2	H(CCHN)	H(CCHN)	C(NZnCH)(COO)(H)2	H(CCHN)	H(CCHN)	107.4820	0.000	1	107.4820	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C-3:H-1:H-1:	C-4:	C-4:	C(NZnHH)(CHN)(H)2	H(CCHN)	H(CCHN)	C(NZnHH)(CHN)(H)2	H(CCHN)	H(CCHN)	106.5530	0.000	1	106.5530	0.000	1	108.2884	3.906	874	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C[5]-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]CoH)(C[5]N[5]2)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(NC[6a]CoH)(C[5]N[5]2)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.3950	0.000	1	108.3950	0.000	1	108.5834	0.069	5	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C[5]-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]MnC)(C[5]N[5]2)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(NC[6a]MnC)(C[5]N[5]2)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.2370	0.000	1	108.2370	0.000	1	108.5834	0.069	5	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C[5]-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]MnH)(C[5]N[5]2)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(NC[6a]MnH)(C[5]N[5]2)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.7617	0.116	3	108.7617	0.014	3	108.5834	0.069	5	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(NB[3,3,5,3x6]HH)(C[6a]C[6a]2)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(NB[3,3,5,3x6]HH)(C[6a]C[6a]2)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.9370	0.000	1	107.9370	0.000	1	107.4972	0.065	5	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(NB[3x3,3x5,12x6]CH)(C[6a]C[6a]2)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	C(NB[3x3,3x5,12x6]CH)(C[6a]C[6a]2)(H)2	H(CC[6a]HN)	H(CC[6a]HN)	107.3872	0.077	4	107.3872	0.006	4	107.4972	0.065	5	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:N-3:H-1:H-1:	C-4:	C-4:	C(NBCC)(NCC)(H)2	H(CHNN)	H(CHNN)	C(NBCC)(NCC)(H)2	H(CHNN)	H(CHNN)	107.7340	0.000	1	107.7340	0.000	1	108.1765	10.769	55	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:N-3:H-1:H-1:	C-4:	C-4:	C(NCCH)(NCC)(H)2	H(CHNN)	H(CHNN)	C(NCCH)(NCC)(H)2	H(CHNN)	H(CHNN)	108.1250	0.000	1	108.1250	0.000	1	108.1765	10.769	55	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:N-3:H-1:H-1:	C-4:	C-4:	C(NCoCC)(NCC)(H)2	H(CHNN)	H(CHNN)	C(NCoCC)(NCC)(H)2	H(CHNN)	H(CHNN)	107.2130	0.000	1	107.2130	0.000	1	108.1765	10.769	55	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:N-3:H-1:H-1:	C-4:	C-4:	C(NCoCH)(NCC)(H)2	H(CHNN)	H(CHNN)	C(NCoCH)(NCC)(H)2	H(CHNN)	H(CHNN)	110.0004	7.621	10	110.0004	58.076	10	108.1765	10.769	55	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:N-3:H-1:H-1:	C-4:	C-4:	C(NCuCC)(NCC)(H)2	H(CHNN)	H(CHNN)	C(NCuCC)(NCC)(H)2	H(CHNN)	H(CHNN)	107.4977	0.065	4	107.4977	0.004	4	108.1765	10.769	55	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:N-3:H-1:H-1:	C-4:	C-4:	C(NCuCH)(NCC)(H)2	H(CHNN)	H(CHNN)	C(NCuCH)(NCC)(H)2	H(CHNN)	H(CHNN)	108.2980	0.067	3	108.2980	0.005	3	108.1765	10.769	55	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:N-3:H-1:H-1:	C-4:	C-4:	C(NNiCH)(NCC)(H)2	H(CHNN)	H(CHNN)	C(NNiCH)(NCC)(H)2	H(CHNN)	H(CHNN)	107.7683	0.708	34	107.7683	0.501	34	108.1765	10.769	55	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:N-3:H-1:H-1:	C-4:	C-4:	C(NTiCC)(NCC)(H)2	H(CHNN)	H(CHNN)	C(NTiCC)(NCC)(H)2	H(CHNN)	H(CHNN)	107.6210	0.000	1	107.6210	0.000	1	108.1765	10.769	55	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:P-3:H-1:H-1:	C-4:	C-4:	C(NCCH)(PCC)(H)2	H(CHNP)	H(CHNP)	C(NCCH)(PCC)(H)2	H(CHNP)	H(CHNP)	106.6784	2.046	12	106.6784	4.186	12	107.2875	2.960	21	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:P-3:H-1:H-1:	C-4:	C-4:	C(NCHH)(PCC)(H)2	H(CHNP)	H(CHNP)	C(NCHH)(PCC)(H)2	H(CHNP)	H(CHNP)	108.2952	0.030	8	108.2952	0.001	8	107.2875	2.960	21	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N-4:P-3:H-1:H-1:	C-4:	C-4:	C(NC[6a]Mg2)(PCC)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]Mg2)(PCC)(H)2	H(CHNP)	H(CHNP)	106.5340	0.000	1	106.5340	0.000	1	107.2875	2.960	21	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[3x6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(N[3x6]C[6,6]3)(CCH)(H)2	H(CN[3x6]CH)	H(CN[3x6]CH)	C(N[3x6]C[6,6]3)(CCH)(H)2	H(CN[3x6]CH)	H(CN[3x6]CH)	107.6120	0.000	1	107.6120	0.000	1	107.2779	0.015	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[3x6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(N[3x6]C[6,6]3)(COO)(H)2	H(CN[3x6]CH)	H(CN[3x6]CH)	C(N[3x6]C[6,6]3)(COO)(H)2	H(CN[3x6]CH)	H(CN[3x6]CH)	107.2501	0.077	12	107.2501	0.006	12	107.2779	0.015	13	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[3x6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	H(CN[3x6]C[6a]H)	H(CN[3x6]C[6a]H)	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	H(CN[3x6]C[6a]H)	H(CN[3x6]C[6a]H)	107.5016	0.146	15	107.5016	0.021	15	107.5016	0.021	15	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[3x6]-4:N[6]-3:H-1:H-1:	C-4:	C-4:	C(N[3x6]C[6,6]3)(N[6]C[6]2)(H)2	H(CN[3x6]N[6]H)	H(CN[3x6]N[6]H)	C(N[3x6]C[6,6]3)(N[6]C[6]2)(H)2	H(CN[3x6]N[6]H)	H(CN[3x6]N[6]H)	107.7193	0.026	3	107.7193	0.001	3	107.7193	0.001	3	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[5,5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(N[5,5]Ga[4x5]C[5]2)(COO)(H)2	H(CN[5,5]CH)	H(CN[5,5]CH)	C(N[5,5]Ga[4x5]C[5]2)(COO)(H)2	H(CN[5,5]CH)	H(CN[5,5]CH)	107.2050	0.000	1	107.2050	0.000	1	107.2050	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[5,5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5,5]B[5,5]C[5]2)(C[6a]C[6a]2)(H)2	H(CN[5,5]C[6a]H)	H(CN[5,5]C[6a]H)	C(N[5,5]B[5,5]C[5]2)(C[6a]C[6a]2)(H)2	H(CN[5,5]C[6a]H)	H(CN[5,5]C[6a]H)	109.2883	2.655	3	109.2883	7.050	3	109.4663	4.827	4	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[5,5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)2	H(CN[5,5]C[6a]H)	H(CN[5,5]C[6a]H)	C(N[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)2	H(CN[5,5]C[6a]H)	H(CN[5,5]C[6a]H)	110.0000	0.000	1	110.0000	0.000	1	109.4663	4.827	4	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[5,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]N[6a])(H)2	H(CN[5,6]C[6a]H)	H(CN[5,6]C[6a]H)	C(N[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]N[6a])(H)2	H(CN[5,6]C[6a]H)	H(CN[5,6]C[6a]H)	107.7205	0.063	2	107.7205	0.004	2	107.7205	0.004	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2C)(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2C)(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7200	0.000	1	107.7200	0.000	1	108.2506	3.021	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2C)(CCO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2C)(CCO)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.5590	0.000	1	107.5590	0.000	1	108.2506	3.021	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2C)(COO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2C)(COO)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.4503	0.032	3	107.4503	0.001	3	108.2506	3.021	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2C[6])(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2C[6])(CCH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8040	0.000	1	107.8040	0.000	1	108.2506	3.021	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2H)(COO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2H)(COO)(H)2	H(CN[5]CH)	H(CN[5]CH)	112.5200	0.000	1	112.5200	0.000	1	108.2506	3.021	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[5]-4:C-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Mo)(CNO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2Mo)(CNO)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0510	0.000	1	108.0510	0.000	1	108.2506	3.021	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[5]-4:C[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Fe)(C[5]N[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(N[5]C[5]2Fe)(C[5]N[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	108.5575	0.145	2	108.5575	0.021	2	108.8528	0.370	5	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[5]-4:C[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2H)(C[5]N[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(N[5]C[5]2H)(C[5]N[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	109.4120	0.000	1	109.4120	0.000	1	108.8528	0.370	5	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[5]-4:C[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Mn)(C[5]N[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(N[5]C[5]2Mn)(C[5]N[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	108.1720	0.000	1	108.1720	0.000	1	108.8528	0.370	5	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[5]-4:C[5]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Zn)(C[5]N[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(N[5]C[5]2Zn)(C[5]N[5]2)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	109.5650	0.000	1	109.5650	0.000	1	108.8528	0.370	5	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.8340	0.000	1	107.8340	0.000	1	107.7331	0.348	52	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Al)(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5]2Al)(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.8938	0.173	12	107.8938	0.030	12	107.7331	0.348	52	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Cu)(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5]2Cu)(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.6950	0.077	3	107.6950	0.006	3	107.7331	0.348	52	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Fe)(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5]2Fe)(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.4367	0.953	6	107.4367	0.909	6	107.7331	0.348	52	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Ir)(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5]2Ir)(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	110.9600	0.000	1	110.9600	0.000	1	107.7331	0.348	52	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Mg)(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5]2Mg)(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.6520	0.000	1	107.6520	0.000	1	107.7331	0.348	52	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Ni)(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5]2Ni)(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.6040	0.197	26	107.6040	0.039	26	107.7331	0.348	52	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Pd)(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5]2Pd)(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	107.4580	0.000	1	107.4580	0.000	1	107.7331	0.348	52	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	C(N[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]N[5]H)	H(CC[6a]N[5]H)	108.0800	0.000	1	108.0800	0.000	1	107.7331	0.348	52	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Cu)(NCH)(H)2	H(CN[5]HN)	H(CN[5]HN)	C(N[5]C[5]2Cu)(NCH)(H)2	H(CN[5]HN)	H(CN[5]HN)	107.8100	0.041	2	107.8100	0.002	2	107.8100	0.002	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6,6]B[6,6]C[6]2)(C[6a]C[6a]2)(H)2	H(CN[6,6]C[6a]H)	H(CN[6,6]C[6a]H)	C(N[6,6]B[6,6]C[6]2)(C[6a]C[6a]2)(H)2	H(CN[6,6]C[6a]H)	H(CN[6,6]C[6a]H)	107.4750	0.000	1	107.4750	0.000	1	107.5660	0.007	3	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	H(CN[6,6]C[6a]H)	H(CN[6,6]C[6a]H)	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	H(CN[6,6]C[6a]H)	H(CN[6,6]C[6a]H)	107.6115	0.050	2	107.6115	0.003	2	107.5660	0.007	3	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]C[6]H)(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6]C[6]H)(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.6845	0.002	2	107.6845	0.000	2	107.9313	1.924	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2C)(CCC)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2C)(CCC)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.4000	0.000	1	107.4000	0.000	1	107.9313	1.924	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2C)(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2C)(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.1140	2.113	5	107.1140	4.465	5	107.9313	1.924	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2C)(COO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2C)(COO)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.3770	0.000	1	107.3770	0.000	1	107.9313	1.924	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Co)(COO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Co)(COO)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.8670	0.000	1	107.8670	0.000	1	107.9313	1.924	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Cu)(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Cu)(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.4070	0.000	1	107.4070	0.000	1	107.9313	1.924	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2H)(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2H)(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.8200	0.468	10	107.8200	0.219	10	107.9313	1.924	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2H)(COO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2H)(COO)(H)2	H(CN[6]CH)	H(CN[6]CH)	109.6990	2.383	2	109.6990	5.678	2	107.9313	1.924	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2N)(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2N)(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	110.1035	3.140	2	110.1035	9.861	2	107.9313	1.924	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Ni)(CNO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Ni)(CNO)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.0625	0.070	2	108.0625	0.005	2	107.9313	1.924	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Ni)(COO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Ni)(COO)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7780	0.000	1	107.7780	0.000	1	107.9313	1.924	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Pd)(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Pd)(CCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7540	0.000	1	107.7540	0.000	1	107.9313	1.924	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Zn)(COO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Zn)(COO)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.4860	0.000	1	107.4860	0.000	1	107.9313	1.924	30	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C[5]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2H)(C[5]N[5]2)(H)2	H(CC[5]N[6]H)	H(CC[5]N[6]H)	C(N[6]C[6]2H)(C[5]N[5]2)(H)2	H(CC[5]N[6]H)	H(CC[5]N[6]H)	108.9130	0.000	1	108.9130	0.000	1	108.9130	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2H)(C[6]C[6]2)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	C(N[6]C[6]2H)(C[6]C[6]2)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	107.8053	0.130	4	107.8053	0.017	4	107.8053	0.017	4	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]B[5,6]C[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]B[5,6]C[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	109.9570	0.000	1	109.9570	0.000	1	108.1485	0.378	64	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]B[6,6]C[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]B[6,6]C[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	109.3590	0.000	1	109.3590	0.000	1	108.1485	0.378	64	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]B[6]C[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]B[6]C[6]H)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	110.0545	1.275	2	110.0545	1.625	2	108.1485	0.378	64	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Al)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[6]2Al)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.7439	0.272	12	107.7439	0.074	12	108.1485	0.378	64	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Bi)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[6]2Bi)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.8058	0.164	4	107.8058	0.027	4	108.1485	0.378	64	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Cu)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[6]2Cu)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	108.9903	0.888	3	108.9903	0.789	3	108.1485	0.378	64	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Fe)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[6]2Fe)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.5805	0.189	2	107.5805	0.036	2	108.1485	0.378	64	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Ni)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[6]2Ni)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	108.3530	0.072	7	108.3530	0.005	7	108.1485	0.378	64	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Pd)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[6]2Pd)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	108.2340	0.052	2	108.2340	0.003	2	108.1485	0.378	64	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Pt)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[6]2Pt)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	108.1842	0.127	13	108.1842	0.016	13	108.1485	0.378	64	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Re)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[6]2Re)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.8168	0.313	6	107.8168	0.098	6	108.1485	0.378	64	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Sb)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[6]2Sb)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.9411	0.103	8	107.9411	0.011	8	108.1485	0.378	64	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Te)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]C[6]2Te)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	108.2065	0.190	2	108.2065	0.036	2	108.1485	0.378	64	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(N[6]Ga[3,3,5,5,7x6]C[6]C)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	C(N[6]Ga[3,3,5,5,7x6]C[6]C)(C[6a]C[6a]2)(H)2	H(CC[6a]N[6]H)	H(CC[6a]N[6]H)	107.6200	0.000	1	107.6200	0.000	1	108.1485	0.378	64	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	O-4:C-3:H-1:H-1:	C-4:	C-4:	C(ONi3)(CCN)(H)2	H(CCHO)	H(CCHO)	C(ONi3)(CCN)(H)2	H(CCHO)	H(CCHO)	107.8400	0.000	1	107.8400	0.000	1	107.8400	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PBrCW)(CCH)(H)2	H(CCHP)	H(CCHP)	C(PBrCW)(CCH)(H)2	H(CCHP)	H(CCHP)	107.8500	0.000	1	107.8500	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC3)(CCC)(H)2	H(CCHP)	H(CCHP)	C(PC3)(CCC)(H)2	H(CCHP)	H(CCHP)	106.2753	0.227	3	106.2753	0.051	3	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC3)(CCH)(H)2	H(CCHP)	H(CCHP)	C(PC3)(CCH)(H)2	H(CCHP)	H(CCHP)	107.7673	0.252	3	107.7673	0.063	3	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PCCW)(CHP)(H)2	H(CCHP)	H(CCHP)	C(PCCW)(CHP)(H)2	H(CCHP)	H(CCHP)	99.8025	0.000	1	99.8025	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PCFW)(CCH)(H)2	H(CCHP)	H(CCHP)	C(PCFW)(CCH)(H)2	H(CCHP)	H(CCHP)	107.8410	0.000	1	107.8410	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[3x6]PdC)(CCH)(H)2	H(CCHP)	H(CCHP)	C(PC[3x6]PdC)(CCH)(H)2	H(CCHP)	H(CCHP)	107.9400	0.000	1	107.9400	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[5a]C[5]W)(CCH)(H)2	H(CCHP)	H(CCHP)	C(PC[5a]C[5]W)(CCH)(H)2	H(CCHP)	H(CCHP)	107.7330	0.000	1	107.7330	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6]2Fe)(CHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6]2Fe)(CHN)(H)2	H(CCHP)	H(CCHP)	108.3332	0.139	10	108.3332	0.019	10	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6]2Ni)(CHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6]2Ni)(CHN)(H)2	H(CCHP)	H(CCHP)	108.9117	0.076	4	108.9117	0.006	4	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6]NiC)(CCC)(H)2	H(CCHP)	H(CCHP)	C(PC[6]NiC)(CCC)(H)2	H(CCHP)	H(CCHP)	107.8343	0.257	3	107.8343	0.066	3	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2C[5])(CC[5]O)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2C[5])(CC[5]O)(H)2	H(CCHP)	H(CCHP)	107.8600	0.000	1	107.8600	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Co)(CCH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Co)(CCH)(H)2	H(CCHP)	H(CCHP)	108.5420	0.936	2	108.5420	0.876	2	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Co)(CC[6a]O)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Co)(CC[6a]O)(H)2	H(CCHP)	H(CCHP)	107.5530	0.000	1	107.5530	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cr)(CCC)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Cr)(CCC)(H)2	H(CCHP)	H(CCHP)	107.9350	0.000	1	107.9350	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cu)(CCH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Cu)(CCH)(H)2	H(CCHP)	H(CCHP)	107.8530	0.000	1	107.8530	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Fe)(CC[6a]O)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Fe)(CC[6a]O)(H)2	H(CCHP)	H(CCHP)	107.4870	0.000	1	107.4870	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Fe)(CHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Fe)(CHN)(H)2	H(CCHP)	H(CCHP)	108.1944	0.181	15	108.1944	0.033	15	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Mn)(CCC)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Mn)(CCC)(H)2	H(CCHP)	H(CCHP)	108.0910	0.079	5	108.0910	0.006	5	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Mo)(CC[6a]O)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Mo)(CC[6a]O)(H)2	H(CCHP)	H(CCHP)	109.3950	0.000	1	109.3950	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Mo)(CNO)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Mo)(CNO)(H)2	H(CCHP)	H(CCHP)	108.4355	0.124	2	108.4355	0.015	2	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ni)(CCH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ni)(CCH)(H)2	H(CCHP)	H(CCHP)	112.3280	0.000	1	112.3280	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ni)(CC[6a]N)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ni)(CC[6a]N)(H)2	H(CCHP)	H(CCHP)	108.4480	0.000	1	108.4480	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ni)(CHO)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ni)(CHO)(H)2	H(CCHP)	H(CCHP)	107.6260	0.000	1	107.6260	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2O)(CCC)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2O)(CCC)(H)2	H(CCHP)	H(CCHP)	107.8980	0.000	1	107.8980	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2O)(CCO)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2O)(CCO)(H)2	H(CCHP)	H(CCHP)	107.4416	0.097	5	107.4416	0.009	5	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2O)(CC[6a]O)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2O)(CC[6a]O)(H)2	H(CCHP)	H(CCHP)	107.6380	0.097	3	107.6380	0.009	3	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2O)(CNO)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2O)(CNO)(H)2	H(CCHP)	H(CCHP)	107.8854	0.403	5	107.8854	0.162	5	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2O)(CSeC)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2O)(CSeC)(H)2	H(CCHP)	H(CCHP)	102.9750	0.000	1	102.9750	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(CC[6a]N)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pd)(CC[6a]N)(H)2	H(CCHP)	H(CCHP)	108.9590	0.589	7	108.9590	0.347	7	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(COO)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pd)(COO)(H)2	H(CCHP)	H(CCHP)	108.0238	0.280	4	108.0238	0.078	4	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(CCH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pt)(CCH)(H)2	H(CCHP)	H(CCHP)	107.3615	0.374	2	107.3615	0.140	2	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(CHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pt)(CHP)(H)2	H(CCHP)	H(CCHP)	108.0630	0.000	1	108.0630	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2S)(CC[6a]C)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2S)(CC[6a]C)(H)2	H(CCHP)	H(CCHP)	107.7070	0.000	1	107.7070	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]3)(CCH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]3)(CCH)(H)2	H(CCHP)	H(CCHP)	107.6730	0.000	1	107.6730	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]3)(CCO)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]3)(CCO)(H)2	H(CCHP)	H(CCHP)	108.3547	1.324	6	108.3547	1.754	6	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]3)(CC[5]O)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]3)(CC[5]O)(H)2	H(CCHP)	H(CCHP)	108.9430	0.000	1	108.9430	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]3)(CC[6a]O)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]3)(CC[6a]O)(H)2	H(CCHP)	H(CCHP)	107.5940	1.226	8	107.5940	1.504	8	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]3)(COO)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]3)(COO)(H)2	H(CCHP)	H(CCHP)	107.6755	0.030	2	107.6755	0.001	2	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[6]Pt)(CC[6a]N)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]C[6]Pt)(CC[6a]N)(H)2	H(CCHP)	H(CCHP)	109.4950	0.000	1	109.4950	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]FeC)(CHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]FeC)(CHH)(H)2	H(CCHP)	H(CCHP)	109.3520	0.000	1	109.3520	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]RuC)(CCH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]RuC)(CCH)(H)2	H(CCHP)	H(CCHP)	107.4545	0.227	2	107.4545	0.052	2	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PClCW)(CCH)(H)2	H(CCHP)	H(CCHP)	C(PClCW)(CCH)(H)2	H(CCHP)	H(CCHP)	107.9020	0.000	1	107.9020	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PCoCC)(CCH)(H)2	H(CCHP)	H(CCHP)	C(PCoCC)(CCH)(H)2	H(CCHP)	H(CCHP)	105.2065	1.524	2	105.2065	2.322	2	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PCoCC)(CHN)(H)2	H(CCHP)	H(CCHP)	C(PCoCC)(CHN)(H)2	H(CCHP)	H(CCHP)	108.0760	0.047	2	108.0760	0.002	2	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PFeCC)(CCH)(H)2	H(CCHP)	H(CCHP)	C(PFeCC)(CCH)(H)2	H(CCHP)	H(CCHP)	107.4405	0.091	2	107.4405	0.008	2	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PFeCC)(CHN)(H)2	H(CCHP)	H(CCHP)	C(PFeCC)(CHN)(H)2	H(CCHP)	H(CCHP)	108.4813	0.185	3	108.4813	0.034	3	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PIrCC)(CCC)(H)2	H(CCHP)	H(CCHP)	C(PIrCC)(CCC)(H)2	H(CCHP)	H(CCHP)	108.1250	0.000	1	108.1250	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PNiCC)(CCH)(H)2	H(CCHP)	H(CCHP)	C(PNiCC)(CCH)(H)2	H(CCHP)	H(CCHP)	107.6040	0.037	2	107.6040	0.001	2	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PO3)(CCC)(H)2	H(CCHP)	H(CCHP)	C(PO3)(CCC)(H)2	H(CCHP)	H(CCHP)	110.5440	2.620	4	110.5440	6.863	4	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PO3)(CNO)(H)2	H(CCHP)	H(CCHP)	C(PO3)(CNO)(H)2	H(CCHP)	H(CCHP)	107.7853	0.271	3	107.7853	0.074	3	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PO3)(COO)(H)2	H(CCHP)	H(CCHP)	C(PO3)(COO)(H)2	H(CCHP)	H(CCHP)	108.3564	1.809	14	108.3564	3.273	14	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(POOW)(CCH)(H)2	H(CCHP)	H(CCHP)	C(POOW)(CCH)(H)2	H(CCHP)	H(CCHP)	108.2485	0.091	2	108.2485	0.008	2	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PPdCC)(CCC)(H)2	H(CCHP)	H(CCHP)	C(PPdCC)(CCC)(H)2	H(CCHP)	H(CCHP)	106.9585	0.142	2	106.9585	0.020	2	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PPtCC)(CCH)(H)2	H(CCHP)	H(CCHP)	C(PPtCC)(CCH)(H)2	H(CCHP)	H(CCHP)	107.9100	0.038	2	107.9100	0.001	2	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PPtCC)(CHH)(H)2	H(CCHP)	H(CCHP)	C(PPtCC)(CHH)(H)2	H(CCHP)	H(CCHP)	109.1610	0.000	1	109.1610	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PReCC)(CHH)(H)2	H(CCHP)	H(CCHP)	C(PReCC)(CHH)(H)2	H(CCHP)	H(CCHP)	101.9720	0.000	1	101.9720	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PReCH)(CHH)(H)2	H(CCHP)	H(CCHP)	C(PReCH)(CHH)(H)2	H(CCHP)	H(CCHP)	105.8840	0.000	1	105.8840	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PRhCC)(CCH)(H)2	H(CCHP)	H(CCHP)	C(PRhCC)(CCH)(H)2	H(CCHP)	H(CCHP)	107.4250	0.094	3	107.4250	0.009	3	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PRuCC)(CCC)(H)2	H(CCHP)	H(CCHP)	C(PRuCC)(CCC)(H)2	H(CCHP)	H(CCHP)	108.3050	0.048	2	108.3050	0.002	2	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C-3:H-1:H-1:	C-4:	C-4:	C(PRuCC)(CHN)(H)2	H(CCHP)	H(CCHP)	C(PRuCC)(CHN)(H)2	H(CCHP)	H(CCHP)	108.1030	0.000	1	108.1030	0.000	1	107.9802	2.034	162	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C[5]-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)(C[5]N[5]2)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(PC[6a]2Ir)(C[5]N[5]2)(H)2	H(CC[5]HP)	H(CC[5]HP)	108.6820	0.000	1	108.6820	0.000	1	108.7960	0.026	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C[5]-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Mo)(C[5]N[5]2)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(PC[6a]2Mo)(C[5]N[5]2)(H)2	H(CC[5]HP)	H(CC[5]HP)	108.9100	0.000	1	108.9100	0.000	1	108.7960	0.026	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]HfC)(C[6]C[6]2)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(PC[6a]HfC)(C[6]C[6]2)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.1186	0.284	8	108.1186	0.081	8	108.1289	0.080	10	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]ZrC)(C[6]C[6]2)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(PC[6a]ZrC)(C[6]C[6]2)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.1700	0.383	2	108.1700	0.147	2	108.1289	0.080	10	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[5]Ru)(C[6a]C[6a]2)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(PC[6a]C[5]Ru)(C[6a]C[6a]2)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.9510	0.000	1	108.9510	0.000	1	108.3373	0.350	3	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[6]Ir)(C[6a]C[6a]2)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(PC[6a]C[6]Ir)(C[6a]C[6a]2)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	108.2910	0.000	1	108.2910	0.000	1	108.3373	0.350	3	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[6]O)(C[6a]C[6a]2)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	C(PC[6a]C[6]O)(C[6a]C[6a]2)(H)2	H(CC[6a]HP)	H(CC[6a]HP)	107.7700	0.000	1	107.7700	0.000	1	108.3373	0.350	3	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PCCN)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PCCN)(NCC)(H)2	H(CHNP)	H(CHNP)	107.5230	0.000	1	107.5230	0.000	1	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PCCO)(NCH)(H)2	H(CHNP)	H(CHNP)	C(PCCO)(NCH)(H)2	H(CHNP)	H(CHNP)	107.7555	0.112	2	107.7555	0.013	2	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PCCO)(NHH)(H)2	H(CHNP)	H(CHNP)	C(PCCO)(NHH)(H)2	H(CHNP)	H(CHNP)	107.5200	0.000	1	107.5200	0.000	1	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PCCW)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PCCW)(NCC)(H)2	H(CHNP)	H(CHNP)	107.8922	0.179	9	107.8922	0.032	9	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[5]2O)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[5]2O)(NCC)(H)2	H(CHNP)	H(CHNP)	107.9140	0.000	1	107.9140	0.000	1	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[5]2W)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[5]2W)(NCC)(H)2	H(CHNP)	H(CHNP)	107.5530	0.000	1	107.5530	0.000	1	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6]2B)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	C(PC[6]2B)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	107.6430	0.000	1	107.6430	0.000	1	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6]2Pd)(NC[6]C)(H)2	H(CHNP)	H(CHNP)	C(PC[6]2Pd)(NC[6]C)(H)2	H(CHNP)	H(CHNP)	108.0020	0.000	1	108.0020	0.000	1	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6]2Pd)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	C(PC[6]2Pd)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	107.4740	0.000	1	107.4740	0.000	1	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6]FeC)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	C(PC[6]FeC)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	107.7117	0.263	4	107.7117	0.069	4	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6]NiC)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[6]NiC)(NCC)(H)2	H(CHNP)	H(CHNP)	107.8134	0.176	25	107.8134	0.031	25	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6]NiC)(NCH)(H)2	H(CHNP)	H(CHNP)	C(PC[6]NiC)(NCH)(H)2	H(CHNP)	H(CHNP)	107.3410	0.259	2	107.3410	0.067	2	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6]NiC)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	C(PC[6]NiC)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	107.6328	0.319	5	107.6328	0.102	5	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6]PdC)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	C(PC[6]PdC)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	107.7290	0.000	1	107.7290	0.000	1	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6]PtC)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	C(PC[6]PtC)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	107.8177	0.092	3	107.8177	0.008	3	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6]RhC)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	C(PC[6]RhC)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	107.5393	0.310	7	107.5393	0.096	7	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ag)(NC[6]H)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Ag)(NC[6]H)(H)2	H(CHNP)	H(CHNP)	107.6540	0.000	1	107.6540	0.000	1	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Au)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Au)(NCC)(H)2	H(CHNP)	H(CHNP)	107.2260	0.000	1	107.2260	0.000	1	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Au)(NC[6a]H)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Au)(NC[6a]H)(H)2	H(CHNP)	H(CHNP)	107.8130	0.000	1	107.8130	0.000	1	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Co)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Co)(NCC)(H)2	H(CHNP)	H(CHNP)	107.4387	0.293	6	107.4387	0.086	6	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Co)(NC[6a]2)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Co)(NC[6a]2)(H)2	H(CHNP)	H(CHNP)	107.0023	0.455	4	107.0023	0.207	4	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Co)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Co)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	107.8830	0.072	2	107.8830	0.005	2	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cr)(NC[6a]P)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Cr)(NC[6a]P)(H)2	H(CHNP)	H(CHNP)	108.2575	0.063	2	108.2575	0.004	2	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cu)(NC[6]2)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Cu)(NC[6]2)(H)2	H(CHNP)	H(CHNP)	107.2010	0.000	1	107.2010	0.000	1	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cu)(NC[6]H)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Cu)(NC[6]H)(H)2	H(CHNP)	H(CHNP)	107.8627	0.396	3	107.8627	0.157	3	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cu)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Cu)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	107.8749	0.127	8	107.8749	0.016	8	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cu)(NC[6a]H)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Cu)(NC[6a]H)(H)2	H(CHNP)	H(CHNP)	107.7250	0.121	3	107.7250	0.015	3	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Fe)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Fe)(NCC)(H)2	H(CHNP)	H(CHNP)	107.6536	0.239	19	107.6536	0.057	19	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Fe)(NC[6a]H)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Fe)(NC[6a]H)(H)2	H(CHNP)	H(CHNP)	107.8620	0.000	1	107.8620	0.000	1	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Mo)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Mo)(NCC)(H)2	H(CHNP)	H(CHNP)	107.6116	0.221	12	107.6116	0.049	12	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Mo)(NCH)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Mo)(NCH)(H)2	H(CHNP)	H(CHNP)	109.0440	0.000	1	109.0440	0.000	1	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Mo)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Mo)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	107.7950	0.122	2	107.7950	0.015	2	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2N)(NC[6a]P)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2N)(NC[6a]P)(H)2	H(CHNP)	H(CHNP)	107.6050	0.000	1	107.6050	0.000	1	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ni)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Ni)(NCC)(H)2	H(CHNP)	H(CHNP)	107.8066	0.429	12	107.8066	0.184	12	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ni)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Ni)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	107.7275	0.268	2	107.7275	0.072	2	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2O)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2O)(NCC)(H)2	H(CHNP)	H(CHNP)	110.3440	3.517	4	110.3440	12.369	4	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2O)(NC[6]P)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2O)(NC[6]P)(H)2	H(CHNP)	H(CHNP)	107.9560	0.000	1	107.9560	0.000	1	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2O)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2O)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	107.7260	0.000	1	107.7260	0.000	1	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2O)(NC[6a]H)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2O)(NC[6a]H)(H)2	H(CHNP)	H(CHNP)	109.1230	1.066	4	109.1230	1.136	4	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2O)(NHN)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2O)(NHN)(H)2	H(CHNP)	H(CHNP)	107.9235	0.070	2	107.9235	0.005	2	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Pd)(NCC)(H)2	H(CHNP)	H(CHNP)	108.0135	0.396	4	108.0135	0.157	4	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(NC[6]2)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Pd)(NC[6]2)(H)2	H(CHNP)	H(CHNP)	107.9270	0.000	1	107.9270	0.000	1	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(NC[6]H)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Pd)(NC[6]H)(H)2	H(CHNP)	H(CHNP)	108.0103	0.160	3	108.0103	0.026	3	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Pd)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	107.9594	0.311	24	107.9594	0.097	24	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(NC[6a]H)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Pd)(NC[6a]H)(H)2	H(CHNP)	H(CHNP)	109.5140	0.000	1	109.5140	0.000	1	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(NC[6]C)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Pt)(NC[6]C)(H)2	H(CHNP)	H(CHNP)	108.5060	0.000	1	108.5060	0.000	1	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Pt)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	107.4055	0.365	4	107.4055	0.133	4	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Re)(NC[6]C)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Re)(NC[6]C)(H)2	H(CHNP)	H(CHNP)	107.8610	0.000	1	107.8610	0.000	1	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Rh)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Rh)(NCC)(H)2	H(CHNP)	H(CHNP)	107.9822	0.398	4	107.9822	0.159	4	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Rh)(NC[6a]Al)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Rh)(NC[6a]Al)(H)2	H(CHNP)	H(CHNP)	108.3810	0.000	1	108.3810	0.000	1	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Rh)(NC[6a]H)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Rh)(NC[6a]H)(H)2	H(CHNP)	H(CHNP)	107.1460	0.000	1	107.1460	0.000	1	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Ru)(NCC)(H)2	H(CHNP)	H(CHNP)	107.5105	0.233	6	107.5105	0.054	6	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(NC[6]H)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Ru)(NC[6]H)(H)2	H(CHNP)	H(CHNP)	109.4780	0.000	1	109.4780	0.000	1	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Ru)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	107.3640	0.049	2	107.3640	0.002	2	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(NC[6a]H)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Ru)(NC[6a]H)(H)2	H(CHNP)	H(CHNP)	110.8180	0.000	1	110.8180	0.000	1	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2S)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2S)(NCC)(H)2	H(CHNP)	H(CHNP)	107.3480	0.153	2	107.3480	0.023	2	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2W)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2W)(NCC)(H)2	H(CHNP)	H(CHNP)	107.3872	0.164	12	107.3872	0.027	12	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]CoC)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]CoC)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	106.6663	2.377	3	106.6663	5.651	3	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]CrC)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]CrC)(NCC)(H)2	H(CHNP)	H(CHNP)	107.5408	0.234	17	107.5408	0.055	17	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]CuC)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]CuC)(NCC)(H)2	H(CHNP)	H(CHNP)	107.7655	0.108	2	107.7655	0.012	2	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]Fe2)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]Fe2)(NCC)(H)2	H(CHNP)	H(CHNP)	107.6580	0.007	2	107.6580	0.000	2	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]FeC)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]FeC)(NCC)(H)2	H(CHNP)	H(CHNP)	107.8539	0.151	12	107.8539	0.023	12	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]FeC)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]FeC)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	107.8709	0.170	7	107.8709	0.029	7	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]MnC)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]MnC)(NCC)(H)2	H(CHNP)	H(CHNP)	107.6787	0.206	3	107.6787	0.043	3	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]MoC)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]MoC)(NCC)(H)2	H(CHNP)	H(CHNP)	108.0513	0.075	3	108.0513	0.006	3	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]NiC)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]NiC)(NCC)(H)2	H(CHNP)	H(CHNP)	107.7876	0.517	24	107.7876	0.267	24	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]NiC)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]NiC)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	107.8635	0.215	21	107.8635	0.046	21	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]OO)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]OO)(NCC)(H)2	H(CHNP)	H(CHNP)	107.6130	0.000	1	107.6130	0.000	1	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]PdC)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]PdC)(NCC)(H)2	H(CHNP)	H(CHNP)	108.0192	0.393	6	108.0192	0.155	6	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]PtC)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]PtC)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	107.4933	0.186	4	107.4933	0.034	4	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]RhC)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]RhC)(NCC)(H)2	H(CHNP)	H(CHNP)	107.8006	0.381	5	107.8006	0.145	5	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]RhC)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]RhC)(NC[6a]C)(H)2	H(CHNP)	H(CHNP)	107.8063	0.344	6	107.8063	0.119	6	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]RuC)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]RuC)(NCC)(H)2	H(CHNP)	H(CHNP)	107.8915	0.249	10	107.8915	0.062	10	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PCoCC)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PCoCC)(NCC)(H)2	H(CHNP)	H(CHNP)	107.8830	0.403	3	107.8830	0.162	3	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PCrCC)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PCrCC)(NCC)(H)2	H(CHNP)	H(CHNP)	107.9940	0.120	5	107.9940	0.014	5	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PFeCC)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PFeCC)(NCC)(H)2	H(CHNP)	H(CHNP)	107.7326	0.333	40	107.7326	0.111	40	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PMoCC)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PMoCC)(NCC)(H)2	H(CHNP)	H(CHNP)	107.4454	1.014	18	107.4454	1.027	18	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PNiCC)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PNiCC)(NCC)(H)2	H(CHNP)	H(CHNP)	107.2697	1.044	23	107.2697	1.090	23	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PO3)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PO3)(NCC)(H)2	H(CHNP)	H(CHNP)	107.3852	0.251	5	107.3852	0.063	5	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N-3:H-1:H-1:	C-4:	C-4:	C(PRuCC)(NCC)(H)2	H(CHNP)	H(CHNP)	C(PRuCC)(NCC)(H)2	H(CHNP)	H(CHNP)	107.6684	0.342	14	107.6684	0.117	14	107.7512	0.435	462	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ag)(N[5]C[5]2)(H)2	H(CN[5]HP)	H(CN[5]HP)	C(PC[6a]2Ag)(N[5]C[5]2)(H)2	H(CN[5]HP)	H(CN[5]HP)	108.0663	0.020	3	108.0663	0.000	3	108.4851	0.183	7	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)(N[5]C[5]2)(H)2	H(CN[5]HP)	H(CN[5]HP)	C(PC[6a]2Ir)(N[5]C[5]2)(H)2	H(CN[5]HP)	H(CN[5]HP)	108.7055	0.373	2	108.7055	0.139	2	108.4851	0.183	7	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(N[5]C[5]2)(H)2	H(CN[5]HP)	H(CN[5]HP)	C(PC[6a]2Pd)(N[5]C[5]2)(H)2	H(CN[5]HP)	H(CN[5]HP)	108.8760	0.000	1	108.8760	0.000	1	108.4851	0.183	7	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(N[5]C[5]2)(H)2	H(CN[5]HP)	H(CN[5]HP)	C(PC[6a]2Ru)(N[5]C[5]2)(H)2	H(CN[5]HP)	H(CN[5]HP)	108.9100	0.000	1	108.9100	0.000	1	108.4851	0.183	7	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:N[6]-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(N[6]C[6]2)(H)2	H(CN[6]HP)	H(CN[6]HP)	C(PC[6a]2Ru)(N[6]C[6]2)(H)2	H(CN[6]HP)	H(CN[6]HP)	107.9717	0.474	3	107.9717	0.225	3	107.9717	0.225	3	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:P-3:H-1:H-1:	C-4:	C-4:	C(PCCP)(PCC)(H)2	H(CHPP)	H(CHPP)	C(PCCP)(PCC)(H)2	H(CHPP)	H(CHPP)	107.0640	0.000	1	107.0640	0.000	1	107.9899	0.893	37	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:P-3:H-1:H-1:	C-4:	C-4:	C(PC[6]2Fe)(PC[6]2)(H)2	H(CHPP)	H(CHPP)	C(PC[6]2Fe)(PC[6]2)(H)2	H(CHPP)	H(CHPP)	111.8980	0.000	1	111.8980	0.000	1	107.9899	0.893	37	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:P-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2B)(PCC)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2B)(PCC)(H)2	H(CHPP)	H(CHPP)	107.5180	0.000	1	107.5180	0.000	1	107.9899	0.893	37	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:P-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2B)(PC[6a]2)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2B)(PC[6a]2)(H)2	H(CHPP)	H(CHPP)	109.3565	1.153	2	109.3565	1.330	2	107.9899	0.893	37	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:P-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2C[5])(PC[6a]2)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2C[5])(PC[6a]2)(H)2	H(CHPP)	H(CHPP)	107.7615	0.476	2	107.7615	0.226	2	107.9899	0.893	37	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:P-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cu)(PC[6a]2)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Cu)(PC[6a]2)(H)2	H(CHPP)	H(CHPP)	107.9540	0.000	1	107.9540	0.000	1	107.9899	0.893	37	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:P-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Fe)(PC[6a]2)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Fe)(PC[6a]2)(H)2	H(CHPP)	H(CHPP)	107.8470	0.000	1	107.8470	0.000	1	107.9899	0.893	37	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:P-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2N)(PC[6a]2)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2N)(PC[6a]2)(H)2	H(CHPP)	H(CHPP)	107.3780	0.000	1	107.3780	0.000	1	107.9899	0.893	37	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:P-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ni)(PC[6a]2)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Ni)(PC[6a]2)(H)2	H(CHPP)	H(CHPP)	107.2593	0.274	3	107.2593	0.075	3	107.9899	0.893	37	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:P-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2P)(PC[6a]2)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2P)(PC[6a]2)(H)2	H(CHPP)	H(CHPP)	108.0470	0.272	3	108.0470	0.074	3	107.9899	0.893	37	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:P-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(PC[6a]2)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Pd)(PC[6a]2)(H)2	H(CHPP)	H(CHPP)	109.3070	0.000	1	109.3070	0.000	1	107.9899	0.893	37	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:P-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(PC[6a]C)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Pd)(PC[6a]C)(H)2	H(CHPP)	H(CHPP)	107.8882	0.762	4	107.8882	0.580	4	107.9899	0.893	37	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:P-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(PC[6a]2)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Pt)(PC[6a]2)(H)2	H(CHPP)	H(CHPP)	107.8467	0.114	3	107.8467	0.013	3	107.9899	0.893	37	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:P-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Rh)(PC[6a]2)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Rh)(PC[6a]2)(H)2	H(CHPP)	H(CHPP)	108.4530	0.187	2	108.4530	0.035	2	107.9899	0.893	37	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:P-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]FeC)(PC[6a]C)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]FeC)(PC[6a]C)(H)2	H(CHPP)	H(CHPP)	106.8910	0.000	1	106.8910	0.000	1	107.9899	0.893	37	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:P-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]NiC)(PC[6a]C)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]NiC)(PC[6a]C)(H)2	H(CHPP)	H(CHPP)	107.4135	0.018	2	107.4135	0.000	2	107.9899	0.893	37	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:P-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]PdC)(PC[6a]2)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]PdC)(PC[6a]2)(H)2	H(CHPP)	H(CHPP)	107.8960	0.058	2	107.8960	0.003	2	107.9899	0.893	37	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:P-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]PdC)(PC[6a]C)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]PdC)(PC[6a]C)(H)2	H(CHPP)	H(CHPP)	108.0747	0.901	3	108.0747	0.812	3	107.9899	0.893	37	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:P-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]PtC)(PC[6a]2)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]PtC)(PC[6a]2)(H)2	H(CHPP)	H(CHPP)	107.5980	0.117	2	107.5980	0.014	2	107.9899	0.893	37	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:P-3:H-1:H-1:	C-4:	C-4:	C(PSiCC)(PCC)(H)2	H(CHPP)	H(CHPP)	C(PSiCC)(PCC)(H)2	H(CHPP)	H(CHPP)	107.5760	0.000	1	107.5760	0.000	1	107.9899	0.893	37	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:S-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(SC[6a]Ru)(H)2	H(CHPS)	H(CHPS)	C(PC[6a]2Ru)(SC[6a]Ru)(H)2	H(CHPS)	H(CHPS)	110.1740	0.000	1	110.1740	0.000	1	107.8855	2.359	4	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P-4:S-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]CO)(SFe2)(H)2	H(CHPS)	H(CHPS)	C(PC[6a]CO)(SFe2)(H)2	H(CHPS)	H(CHPS)	107.1227	0.218	3	107.1227	0.048	3	107.8855	2.359	4	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P[4]-4:C-3:H-1:H-1:	C-4:	C-4:	C(P[4]C[6a]C[4]2)(CCH)(H)2	H(CP[4]CH)	H(CP[4]CH)	C(P[4]C[6a]C[4]2)(CCH)(H)2	H(CP[4]CH)	H(CP[4]CH)	108.2340	0.000	1	108.2340	0.000	1	108.2340	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P[4]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(P[4]C[4]2Mo)(C[6a]C[6a]2)(H)2	H(CC[6a]P[4]H)	H(CC[6a]P[4]H)	C(P[4]C[4]2Mo)(C[6a]C[6a]2)(H)2	H(CC[6a]P[4]H)	H(CC[6a]P[4]H)	107.4395	0.162	4	107.4395	0.026	4	107.4395	0.026	4	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P[5,5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(P[5,5]C[5,5,6]2S)(C[6a]C[6a]2)(H)2	H(CP[5,5]C[6a]H)	H(CP[5,5]C[6a]H)	C(P[5,5]C[5,5,6]2S)(C[6a]C[6a]2)(H)2	H(CP[5,5]C[6a]H)	H(CP[5,5]C[6a]H)	109.0050	0.000	1	109.0050	0.000	1	108.5970	0.333	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P[5,5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(P[5,5]C[5,5,6]2S)(C[6a]C[6a]N[6a])(H)2	H(CP[5,5]C[6a]H)	H(CP[5,5]C[6a]H)	C(P[5,5]C[5,5,6]2S)(C[6a]C[6a]N[6a])(H)2	H(CP[5,5]C[6a]H)	H(CP[5,5]C[6a]H)	108.1890	0.000	1	108.1890	0.000	1	108.5970	0.333	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P[5]-4:C[6]-3:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6a]C[5]Ir)(C[6]C[6]N[6])(H)2	H(CC[6]P[5]H)	H(CC[6]P[5]H)	C(P[5]C[5,6a]C[5]Ir)(C[6]C[6]N[6])(H)2	H(CC[6]P[5]H)	H(CC[6]P[5]H)	107.8890	0.137	3	107.8890	0.019	3	107.8890	0.019	3	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,5a]2C[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]P[5]H)	H(CC[6a]P[5]H)	C(P[5]C[5,5a]2C[6a])(C[6a]C[6a]2)(H)2	H(CC[6a]P[5]H)	H(CC[6a]P[5]H)	107.6863	0.255	6	107.6863	0.065	6	107.6542	0.045	9	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6a]2O)(C[6a]C[6a]2)(H)2	H(CC[6a]P[5]H)	H(CC[6a]P[5]H)	C(P[5]C[5,6a]2O)(C[6a]C[6a]2)(H)2	H(CC[6a]P[5]H)	H(CC[6a]P[5]H)	107.7000	0.000	1	107.7000	0.000	1	107.6542	0.045	9	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6a]C[5]Pd)(C[6a]C[6a]2)(H)2	H(CC[6a]P[5]H)	H(CC[6a]P[5]H)	C(P[5]C[5,6a]C[5]Pd)(C[6a]C[6a]2)(H)2	H(CC[6a]P[5]H)	H(CC[6a]P[5]H)	107.5430	0.000	1	107.5430	0.000	1	107.6542	0.045	9	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P[5]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6a]C[5]S)(C[6a]C[6a]2)(H)2	H(CC[6a]P[5]H)	H(CC[6a]P[5]H)	C(P[5]C[5,6a]C[5]S)(C[6a]C[6a]2)(H)2	H(CC[6a]P[5]H)	H(CC[6a]P[5]H)	107.5270	0.000	1	107.5270	0.000	1	107.6542	0.045	9	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P[5]-4:N-3:H-1:H-1:	C-4:	C-4:	C(P[5]C[5]2Ru)(NCC)(H)2	H(CP[5]HN)	H(CP[5]HN)	C(P[5]C[5]2Ru)(NCC)(H)2	H(CP[5]HN)	H(CP[5]HN)	107.5361	0.266	8	107.5361	0.071	8	107.5361	0.071	8	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P[6,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(P[6,6]C[3x6]2C)(C[6a]C[6a]2)(H)2	H(CP[6,6]C[6a]H)	H(CP[6,6]C[6a]H)	C(P[6,6]C[3x6]2C)(C[6a]C[6a]2)(H)2	H(CP[6,6]C[6a]H)	H(CP[6,6]C[6a]H)	107.2355	0.327	2	107.2355	0.107	2	107.5859	0.198	11	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P[6,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(P[6,6]C[3x6]2Pt)(C[6a]C[6a]2)(H)2	H(CP[6,6]C[6a]H)	H(CP[6,6]C[6a]H)	C(P[6,6]C[3x6]2Pt)(C[6a]C[6a]2)(H)2	H(CP[6,6]C[6a]H)	H(CP[6,6]C[6a]H)	107.8970	0.000	1	107.8970	0.000	1	107.5859	0.198	11	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P[6,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(P[6,6]C[3x6]C[6,6]Pd)(C[6a]C[6a]2)(H)2	H(CP[6,6]C[6a]H)	H(CP[6,6]C[6a]H)	C(P[6,6]C[3x6]C[6,6]Pd)(C[6a]C[6a]2)(H)2	H(CP[6,6]C[6a]H)	H(CP[6,6]C[6a]H)	107.6215	0.733	2	107.6215	0.538	2	107.5859	0.198	11	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P[6,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(P[6,6]C[3x6]C[6,6]Pt)(C[6a]C[6a]2)(H)2	H(CP[6,6]C[6a]H)	H(CP[6,6]C[6a]H)	C(P[6,6]C[3x6]C[6,6]Pt)(C[6a]C[6a]2)(H)2	H(CP[6,6]C[6a]H)	H(CP[6,6]C[6a]H)	107.5295	0.607	2	107.5295	0.369	2	107.5859	0.198	11	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P[6,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(P[6,6]C[6,6]2Pd)(C[6a]C[6a]2)(H)2	H(CP[6,6]C[6a]H)	H(CP[6,6]C[6a]H)	C(P[6,6]C[6,6]2Pd)(C[6a]C[6a]2)(H)2	H(CP[6,6]C[6a]H)	H(CP[6,6]C[6a]H)	108.0000	0.409	2	108.0000	0.167	2	107.5859	0.198	11	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P[6,6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(P[6,6]C[6,6]2Pt)(C[6a]C[6a]2)(H)2	H(CP[6,6]C[6a]H)	H(CP[6,6]C[6a]H)	C(P[6,6]C[6,6]2Pt)(C[6a]C[6a]2)(H)2	H(CP[6,6]C[6a]H)	H(CP[6,6]C[6a]H)	107.3875	0.161	2	107.3875	0.026	2	107.5859	0.198	11	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(P[6]C[6,6]O[6]W)(CCH)(H)2	H(CP[6]CH)	H(CP[6]CH)	C(P[6]C[6,6]O[6]W)(CCH)(H)2	H(CP[6]CH)	H(CP[6]CH)	106.7460	0.000	1	106.7460	0.000	1	107.1370	0.306	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(P[6]O[6]2O)(CCN)(H)2	H(CP[6]CH)	H(CP[6]CH)	C(P[6]O[6]2O)(CCN)(H)2	H(CP[6]CH)	H(CP[6]CH)	107.5280	0.000	1	107.5280	0.000	1	107.1370	0.306	2	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	P[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(P[6]C[6]2Pd)(C[6a]C[6a]2)(H)2	H(CC[6a]P[6]H)	H(CC[6a]P[6]H)	C(P[6]C[6]2Pd)(C[6a]C[6a]2)(H)2	H(CC[6a]P[6]H)	H(CC[6a]P[6]H)	104.4042	4.304	4	104.4042	18.525	4	104.4042	18.525	4	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	S-4:C-3:H-1:H-1:	C-4:	C-4:	C(SCOO)(CCH)(H)2	H(CCHS)	H(CCHS)	C(SCOO)(CCH)(H)2	H(CCHS)	H(CCHS)	109.4680	0.000	1	109.4680	0.000	1	107.8517	1.124	65	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	S-4:C-3:H-1:H-1:	C-4:	C-4:	C(SC[5]OO)(COO)(H)2	H(CCHS)	H(CCHS)	C(SC[5]OO)(COO)(H)2	H(CCHS)	H(CCHS)	107.9017	0.106	4	107.9017	0.011	4	107.8517	1.124	65	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	S-4:C-3:H-1:H-1:	C-4:	C-4:	C(SC[5a]OO)(CCH)(H)2	H(CCHS)	H(CCHS)	C(SC[5a]OO)(CCH)(H)2	H(CCHS)	H(CCHS)	107.9945	0.043	4	107.9945	0.002	4	107.8517	1.124	65	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	S-4:C-3:H-1:H-1:	C-4:	C-4:	C(SC[5a]OO)(CC[6a]O)(H)2	H(CCHS)	H(CCHS)	C(SC[5a]OO)(CC[6a]O)(H)2	H(CCHS)	H(CCHS)	107.5410	0.000	1	107.5410	0.000	1	107.8517	1.124	65	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	S-4:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CB[5]C)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CB[5]C)(H)2	H(CCHS)	H(CCHS)	107.7060	0.000	1	107.7060	0.000	1	107.8517	1.124	65	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	S-4:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CCC)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CCC)(H)2	H(CCHS)	H(CCHS)	107.7038	0.243	5	107.7038	0.059	5	107.8517	1.124	65	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	S-4:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CCF)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CCF)(H)2	H(CCHS)	H(CCHS)	108.1480	0.000	1	108.1480	0.000	1	107.8517	1.124	65	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	S-4:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CCH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CCH)(H)2	H(CCHS)	H(CCHS)	108.1615	0.039	2	108.1615	0.002	2	107.8517	1.124	65	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	S-4:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CCN)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CCN)(H)2	H(CCHS)	H(CCHS)	107.7265	0.105	2	107.7265	0.011	2	107.8517	1.124	65	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	S-4:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CCO)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CCO)(H)2	H(CCHS)	H(CCHS)	107.7957	0.322	3	107.7957	0.103	3	107.8517	1.124	65	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	S-4:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CCP)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CCP)(H)2	H(CCHS)	H(CCHS)	107.8450	0.000	1	107.8450	0.000	1	107.8517	1.124	65	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	S-4:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CC[5,6]O)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CC[5,6]O)(H)2	H(CCHS)	H(CCHS)	106.8920	4.468	3	106.8920	19.963	3	107.8517	1.124	65	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	S-4:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CC[5a]O)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CC[5a]O)(H)2	H(CCHS)	H(CCHS)	108.1233	0.259	6	108.1233	0.067	6	107.8517	1.124	65	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	S-4:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CC[6a]C)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CC[6a]C)(H)2	H(CCHS)	H(CCHS)	107.2536	0.580	9	107.2536	0.336	9	107.8517	1.124	65	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	S-4:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CC[6a]N)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CC[6a]N)(H)2	H(CCHS)	H(CCHS)	107.9085	0.083	2	107.9085	0.007	2	107.8517	1.124	65	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	S-4:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CC[6a]O)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CC[6a]O)(H)2	H(CCHS)	H(CCHS)	107.9882	0.524	11	107.9882	0.275	11	107.8517	1.124	65	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	S-4:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CCoC)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CCoC)(H)2	H(CCHS)	H(CCHS)	107.3440	0.000	1	107.3440	0.000	1	107.8517	1.124	65	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	S-4:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CHN)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CHN)(H)2	H(CCHS)	H(CCHS)	107.8640	0.000	1	107.8640	0.000	1	107.8517	1.124	65	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	S-4:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CNO)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CNO)(H)2	H(CCHS)	H(CCHS)	111.6280	0.000	1	111.6280	0.000	1	107.8517	1.124	65	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	S-4:C-3:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(COO)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(COO)(H)2	H(CCHS)	H(CCHS)	107.9663	0.764	3	107.9663	0.584	3	107.8517	1.124	65	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	S-4:C-3:H-1:H-1:	C-4:	C-4:	C(SO3)(CCH)(H)2	H(CCHS)	H(CCHS)	C(SO3)(CCH)(H)2	H(CCHS)	H(CCHS)	107.8870	0.116	2	107.8870	0.013	2	107.8517	1.124	65	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	S-4:C-3:H-1:H-1:	C-4:	C-4:	C(SO3)(CNO)(H)2	H(CCHS)	H(CCHS)	C(SO3)(CNO)(H)2	H(CCHS)	H(CCHS)	107.4900	0.000	1	107.4900	0.000	1	107.8517	1.124	65	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	S-4:N-3:H-1:H-1:	C-4:	C-4:	C(SO3)(NCC)(H)2	H(CHNS)	H(CHNS)	C(SO3)(NCC)(H)2	H(CHNS)	H(CHNS)	107.8085	0.021	2	107.8085	0.000	2	108.1677	0.413	9	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	S-4:N-3:H-1:H-1:	C-4:	C-4:	C(SO3)(NCH)(H)2	H(CHNS)	H(CHNS)	C(SO3)(NCH)(H)2	H(CHNS)	H(CHNS)	108.2703	0.704	7	108.2703	0.495	7	108.1677	0.413	9	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	S-4:S-3:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(SOO)(H)2	H(CHSS)	H(CHSS)	C(SC[6a]OO)(SOO)(H)2	H(CHSS)	H(CHSS)	107.4505	0.070	4	107.4505	0.005	4	107.4505	0.005	4	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:C-3:H-1:H-1:	C-4:	C-4:	C(SiC3)(CCC)(H)2	H(CSiCH)	H(CSiCH)	C(SiC3)(CCC)(H)2	H(CSiCH)	H(CSiCH)	107.3785	0.504	2	107.3785	0.254	2	107.8148	1.652	38	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:C-3:H-1:H-1:	C-4:	C-4:	C(SiC3)(CNiN)(H)2	H(CSiCH)	H(CSiCH)	C(SiC3)(CNiN)(H)2	H(CSiCH)	H(CSiCH)	107.4890	0.000	1	107.4890	0.000	1	107.8148	1.652	38	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:C-3:H-1:H-1:	C-4:	C-4:	C(SiC3)(COO)(H)2	H(CSiCH)	H(CSiCH)	C(SiC3)(COO)(H)2	H(CSiCH)	H(CSiCH)	108.2858	1.023	14	108.2858	1.047	14	107.8148	1.652	38	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:C-3:H-1:H-1:	C-4:	C-4:	C(SiC3)(CThN)(H)2	H(CSiCH)	H(CSiCH)	C(SiC3)(CThN)(H)2	H(CSiCH)	H(CSiCH)	107.3390	0.000	1	107.3390	0.000	1	107.8148	1.652	38	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:C-3:H-1:H-1:	C-4:	C-4:	C(SiC3)(CZrC)(H)2	H(CSiCH)	H(CSiCH)	C(SiC3)(CZrC)(H)2	H(CSiCH)	H(CSiCH)	108.1895	0.279	2	108.1895	0.078	2	107.8148	1.652	38	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:C-3:H-1:H-1:	C-4:	C-4:	C(SiC[3x3,4,3x5,14x6]CC)(CCH)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[3x3,4,3x5,14x6]CC)(CCH)(H)2	H(CSiCH)	H(CSiCH)	107.8050	0.000	1	107.8050	0.000	1	107.8148	1.652	38	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:C-3:H-1:H-1:	C-4:	C-4:	C(SiC[5]CC)(CCH)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[5]CC)(CCH)(H)2	H(CSiCH)	H(CSiCH)	107.8699	2.071	8	107.8699	4.287	8	107.8148	1.652	38	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:C-3:H-1:H-1:	C-4:	C-4:	C(SiC[5x3,5x5,20x6]CC)(CCH)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[5x3,5x5,20x6]CC)(CCH)(H)2	H(CSiCH)	H(CSiCH)	107.8050	0.000	1	107.8050	0.000	1	107.8148	1.652	38	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:C-3:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2C)(CCH)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[6a]2C)(CCH)(H)2	H(CSiCH)	H(CSiCH)	107.7427	0.127	3	107.7427	0.016	3	107.8148	1.652	38	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:C-3:H-1:H-1:	C-4:	C-4:	C(SiC[6a]3)(CCH)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[6a]3)(CCH)(H)2	H(CSiCH)	H(CSiCH)	107.6140	0.000	1	107.6140	0.000	1	107.8148	1.652	38	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:C-3:H-1:H-1:	C-4:	C-4:	C(SiC[6a]3)(CC[6a]2)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[6a]3)(CC[6a]2)(H)2	H(CSiCH)	H(CSiCH)	105.4970	0.000	1	105.4970	0.000	1	107.8148	1.652	38	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:C-3:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CC)(CCC)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[6a]CC)(CCC)(H)2	H(CSiCH)	H(CSiCH)	107.4925	0.127	2	107.4925	0.016	2	107.8148	1.652	38	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:C-3:H-1:H-1:	C-4:	C-4:	C(SiC[6a]FF)(CCH)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[6a]FF)(CCH)(H)2	H(CSiCH)	H(CSiCH)	105.1040	0.000	1	105.1040	0.000	1	107.8148	1.652	38	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:Ga-3:H-1:H-1:	C-4:	C-4:	C(SiC[6]CC)(GaCC)(H)2	H(CGaSiH)	H(CGaSiH)	C(SiC[6]CC)(GaCC)(H)2	H(CGaSiH)	H(CGaSiH)	108.4030	0.000	1	108.4030	0.000	1	108.4030	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:In-3:H-1:H-1:	C-4:	C-4:	C(SiC3)(InCC)(H)2	H(CInSiH)	H(CInSiH)	C(SiC3)(InCC)(H)2	H(CInSiH)	H(CInSiH)	107.2100	1.201	2	107.2100	1.442	2	107.9630	2.422	3	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:In-3:H-1:H-1:	C-4:	C-4:	C(SiC3)(InNN)(H)2	H(CInSiH)	H(CInSiH)	C(SiC3)(InNN)(H)2	H(CInSiH)	H(CInSiH)	109.4690	0.000	1	109.4690	0.000	1	107.9630	2.422	3	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:N-3:H-1:H-1:	C-4:	C-4:	C(SiC3)(NCC)(H)2	H(CSiHN)	H(CSiHN)	C(SiC3)(NCC)(H)2	H(CSiHN)	H(CSiHN)	101.7360	0.000	1	101.7360	0.000	1	107.3702	3.858	12	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:N-3:H-1:H-1:	C-4:	C-4:	C(SiC3)(NCH)(H)2	H(CSiHN)	H(CSiHN)	C(SiC3)(NCH)(H)2	H(CSiHN)	H(CSiHN)	107.3570	0.034	2	107.3570	0.001	2	107.3702	3.858	12	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:N-3:H-1:H-1:	C-4:	C-4:	C(SiC3)(NScN)(H)2	H(CSiHN)	H(CSiHN)	C(SiC3)(NScN)(H)2	H(CSiHN)	H(CSiHN)	107.0580	0.000	1	107.0580	0.000	1	107.3702	3.858	12	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:N-3:H-1:H-1:	C-4:	C-4:	C(SiCCF)(NCC)(H)2	H(CSiHN)	H(CSiHN)	C(SiCCF)(NCC)(H)2	H(CSiHN)	H(CSiHN)	107.6787	0.133	6	107.6787	0.018	6	107.3702	3.858	12	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:N-3:H-1:H-1:	C-4:	C-4:	C(SiC[6a]FF)(NCC)(H)2	H(CSiHN)	H(CSiHN)	C(SiC[6a]FF)(NCC)(H)2	H(CSiHN)	H(CSiHN)	108.5830	0.000	1	108.5830	0.000	1	107.3702	3.858	12	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:N-3:H-1:H-1:	C-4:	C-4:	C(SiCl2N)(NCC)(H)2	H(CSiHN)	H(CSiHN)	C(SiCl2N)(NCC)(H)2	H(CSiHN)	H(CSiHN)	110.2790	0.000	1	110.2790	0.000	1	107.3702	3.858	12	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:N[5]-3:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CC)(N[5]C[5]2)(H)2	H(CN[5]SiH)	H(CN[5]SiH)	C(SiC[6a]CC)(N[5]C[5]2)(H)2	H(CN[5]SiH)	H(CN[5]SiH)	107.6320	0.000	1	107.6320	0.000	1	107.6320	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:P-3:H-1:H-1:	C-4:	C-4:	C(SiC3)(PNiC)(H)2	H(CSiHP)	H(CSiHP)	C(SiC3)(PNiC)(H)2	H(CSiHP)	H(CSiHP)	106.8610	0.000	1	106.8610	0.000	1	107.0577	0.070	3	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:P-3:H-1:H-1:	C-4:	C-4:	C(SiC3)(PPP)(H)2	H(CSiHP)	H(CSiHP)	C(SiC3)(PPP)(H)2	H(CSiHP)	H(CSiHP)	107.3580	0.000	1	107.3580	0.000	1	107.0577	0.070	3	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:P-3:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CC)(PC[6a]2)(H)2	H(CSiHP)	H(CSiHP)	C(SiC[6a]CC)(PC[6a]2)(H)2	H(CSiHP)	H(CSiHP)	106.9540	0.000	1	106.9540	0.000	1	107.0577	0.070	3	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:S-3:H-1:H-1:	C-4:	C-4:	C(SiC3)(SCW)(H)2	H(CSiHS)	H(CSiHS)	C(SiC3)(SCW)(H)2	H(CSiHS)	H(CSiHS)	107.8658	0.155	6	107.8658	0.024	6	107.8843	0.037	23	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:S-3:H-1:H-1:	C-4:	C-4:	C(SiC3)(SCrC)(H)2	H(CSiHS)	H(CSiHS)	C(SiC3)(SCrC)(H)2	H(CSiHS)	H(CSiHS)	107.9538	0.155	6	107.9538	0.024	6	107.8843	0.037	23	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:S-3:H-1:H-1:	C-4:	C-4:	C(SiC3)(SMoC)(H)2	H(CSiHS)	H(CSiHS)	C(SiC3)(SMoC)(H)2	H(CSiHS)	H(CSiHS)	107.7904	0.079	5	107.7904	0.006	5	107.8843	0.037	23	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si-4:S-3:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CC)(SCW)(H)2	H(CSiHS)	H(CSiHS)	C(SiC[6a]CC)(SCW)(H)2	H(CSiHS)	H(CSiHS)	107.9113	0.305	6	107.9113	0.093	6	107.8843	0.037	23	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si[4]-4:C-3:H-1:H-1:	C-4:	C-4:	C(Si[4]N[4]2N)(CCH)(H)2	H(CSi[4]CH)	H(CSi[4]CH)	C(Si[4]N[4]2N)(CCH)(H)2	H(CSi[4]CH)	H(CSi[4]CH)	107.7720	0.000	1	107.7720	0.000	1	107.7720	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si[6]-4:C-3:H-1:H-1:	C-4:	C-4:	C(Si[6]Si[6]2C)(CCH)(H)2	H(CSi[6]CH)	H(CSi[6]CH)	C(Si[6]Si[6]2C)(CCH)(H)2	H(CSi[6]CH)	H(CSi[6]CH)	107.7013	0.117	3	107.7013	0.014	3	107.7013	0.014	3	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:3:1:1:	4:	4:	Si[6]-4:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(Si[6]N[6]2Br)(C[6a]C[6a]2)(H)2	H(CC[6a]Si[6]H)	H(CC[6a]Si[6]H)	C(Si[6]N[6]2Br)(C[6a]C[6a]2)(H)2	H(CC[6a]Si[6]H)	H(CC[6a]Si[6]H)	106.8380	0.000	1	106.8380	0.000	1	106.8380	0.000	1	107.9121	1.888	26786	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	As-4:As-4:H-1:H-1:	C-4:	C-4:	C(AsC[6a]2Au)2(H)2	H(CAs2H)	H(CAs2H)	C(AsC[6a]2Au)2(H)2	H(CAs2H)	H(CAs2H)	108.2270	0.000	1	108.2270	0.000	1	107.9403	0.034	13	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	As-4:As-4:H-1:H-1:	C-4:	C-4:	C(AsC[6a]2Os)2(H)2	H(CAs2H)	H(CAs2H)	C(AsC[6a]2Os)2(H)2	H(CAs2H)	H(CAs2H)	107.6870	0.000	1	107.6870	0.000	1	107.9403	0.034	13	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	As-4:As-4:H-1:H-1:	C-4:	C-4:	C(AsC[6a]2Ru)2(H)2	H(CAs2H)	H(CAs2H)	C(AsC[6a]2Ru)2(H)2	H(CAs2H)	H(CAs2H)	107.9373	0.161	11	107.9373	0.026	11	107.9403	0.034	13	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	As-4:C-4:H-1:H-1:	C-4:	C-4:	C(AsC3)(CH3)(H)2	H(CAsCH)	H(CAsCH)	C(AsC3)(CH3)(H)2	H(CAsCH)	H(CAsCH)	108.4180	1.027	2	108.4180	1.054	2	107.9067	0.756	59	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	As-4:C-4:H-1:H-1:	C-4:	C-4:	C(AsC3)(COPP)(H)2	H(CAsCH)	H(CAsCH)	C(AsC3)(COPP)(H)2	H(CAsCH)	H(CAsCH)	107.4420	0.000	1	107.4420	0.000	1	107.9067	0.756	59	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	As-4:C-4:H-1:H-1:	C-4:	C-4:	C(AsC[6a]2Cr)(CAsHH)(H)2	H(CAsCH)	H(CAsCH)	C(AsC[6a]2Cr)(CAsHH)(H)2	H(CAsCH)	H(CAsCH)	108.2305	0.091	2	108.2305	0.008	2	107.9067	0.756	59	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	As-4:C-4:H-1:H-1:	C-4:	C-4:	C(AsC[6a]2Ga)(CAsHH)(H)2	H(CAsCH)	H(CAsCH)	C(AsC[6a]2Ga)(CAsHH)(H)2	H(CAsCH)	H(CAsCH)	108.0410	0.010	2	108.0410	0.000	2	107.9067	0.756	59	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	As-4:C-4:H-1:H-1:	C-4:	C-4:	C(AsC[6a]2Pd)(CCHH)(H)2	H(CAsCH)	H(CAsCH)	C(AsC[6a]2Pd)(CCHH)(H)2	H(CAsCH)	H(CAsCH)	107.5910	0.000	1	107.5910	0.000	1	107.9067	0.756	59	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	As-4:C-4:H-1:H-1:	C-4:	C-4:	C(AsC[6a]2Pt)(CAsHH)(H)2	H(CAsCH)	H(CAsCH)	C(AsC[6a]2Pt)(CAsHH)(H)2	H(CAsCH)	H(CAsCH)	108.6512	1.520	12	108.6512	2.311	12	107.9067	0.756	59	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	As-4:C-4:H-1:H-1:	C-4:	C-4:	C(AsC[6a]2Pt)(CCHH)(H)2	H(CAsCH)	H(CAsCH)	C(AsC[6a]2Pt)(CCHH)(H)2	H(CAsCH)	H(CAsCH)	107.3980	0.072	2	107.3980	0.005	2	107.9067	0.756	59	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	As-4:C-4:H-1:H-1:	C-4:	C-4:	C(AsC[6a]2S)(CAsHH)(H)2	H(CAsCH)	H(CAsCH)	C(AsC[6a]2S)(CAsHH)(H)2	H(CAsCH)	H(CAsCH)	108.0840	0.000	1	108.0840	0.000	1	107.9067	0.756	59	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	As-4:C-4:H-1:H-1:	C-4:	C-4:	C(AsC[6a]3)(CCHH)(H)2	H(CAsCH)	H(CAsCH)	C(AsC[6a]3)(CCHH)(H)2	H(CAsCH)	H(CAsCH)	107.6710	0.085	2	107.6710	0.007	2	107.9067	0.756	59	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	As-4:C-4:H-1:H-1:	C-4:	C-4:	C(AsC[6a]CoC)(CC3)(H)2	H(CAsCH)	H(CAsCH)	C(AsC[6a]CoC)(CC3)(H)2	H(CAsCH)	H(CAsCH)	109.4250	0.000	1	109.4250	0.000	1	107.9067	0.756	59	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	As-4:C-4:H-1:H-1:	C-4:	C-4:	C(AsClCC)(CH3)(H)2	H(CAsCH)	H(CAsCH)	C(AsClCC)(CH3)(H)2	H(CAsCH)	H(CAsCH)	107.9570	0.023	2	107.9570	0.001	2	107.9067	0.756	59	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	As-4:C-4:H-1:H-1:	C-4:	C-4:	C(AsGaCC)(CC3)(H)2	H(CAsCH)	H(CAsCH)	C(AsGaCC)(CC3)(H)2	H(CAsCH)	H(CAsCH)	106.7053	0.196	3	106.7053	0.038	3	107.9067	0.756	59	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	As-4:C-4:H-1:H-1:	C-4:	C-4:	C(AsGeCC)(CH3)(H)2	H(CAsCH)	H(CAsCH)	C(AsGeCC)(CH3)(H)2	H(CAsCH)	H(CAsCH)	107.6833	0.145	3	107.6833	0.021	3	107.9067	0.756	59	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	As-4:C-4:H-1:H-1:	C-4:	C-4:	C(AsO3)(CCHH)(H)2	H(CAsCH)	H(CAsCH)	C(AsO3)(CCHH)(H)2	H(CAsCH)	H(CAsCH)	107.6686	0.205	5	107.6686	0.042	5	107.9067	0.756	59	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	As-4:C-4:H-1:H-1:	C-4:	C-4:	C(AsPtCC)(CH3)(H)2	H(CAsCH)	H(CAsCH)	C(AsPtCC)(CH3)(H)2	H(CAsCH)	H(CAsCH)	107.6085	0.174	8	107.6085	0.030	8	107.9067	0.756	59	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	As-4:C-4:H-1:H-1:	C-4:	C-4:	C(AsSnCC)(CH3)(H)2	H(CAsCH)	H(CAsCH)	C(AsSnCC)(CH3)(H)2	H(CAsCH)	H(CAsCH)	107.6941	0.115	12	107.6941	0.013	12	107.9067	0.756	59	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	As-4:P-4:H-1:H-1:	C-4:	C-4:	C(AsPdCC)(PPdCC)(H)2	H(CAsHP)	H(CAsHP)	C(AsPdCC)(PPdCC)(H)2	H(CAsHP)	H(CAsHP)	110.3550	0.000	1	110.3550	0.000	1	110.3550	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	As[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(As[5]C[5,6a]2Pd)(CCHH)(H)2	H(CAs[5]CH)	H(CAs[5]CH)	C(As[5]C[5,6a]2Pd)(CCHH)(H)2	H(CAs[5]CH)	H(CAs[5]CH)	107.7010	0.000	1	107.7010	0.000	1	107.7010	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BCCH)(CH3)(H)2	H(CBCH)	H(CBCH)	C(BCCH)(CH3)(H)2	H(CBCH)	H(CBCH)	106.6431	2.367	9	106.6431	5.600	9	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BCCN)(CH3)(H)2	H(CBCH)	H(CBCH)	C(BCCN)(CH3)(H)2	H(CBCH)	H(CBCH)	107.5171	1.301	16	107.5171	1.692	16	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BCCO)(CH3)(H)2	H(CBCH)	H(CBCH)	C(BCCO)(CH3)(H)2	H(CBCH)	H(CBCH)	107.4802	0.208	6	107.4802	0.043	6	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BCOO)(CH3)(H)2	H(CBCH)	H(CBCH)	C(BCOO)(CH3)(H)2	H(CBCH)	H(CBCH)	107.6065	0.023	2	107.6065	0.001	2	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[5]CC)(CH3)(H)2	H(CBCH)	H(CBCH)	C(BC[5]CC)(CH3)(H)2	H(CBCH)	H(CBCH)	106.5512	4.251	14	106.5512	18.074	14	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[5]CO)(CH3)(H)2	H(CBCH)	H(CBCH)	C(BC[5]CO)(CH3)(H)2	H(CBCH)	H(CBCH)	107.7665	0.047	2	107.7665	0.002	2	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[5]HH)(CC3)(H)2	H(CBCH)	H(CBCH)	C(BC[5]HH)(CC3)(H)2	H(CBCH)	H(CBCH)	107.2590	0.000	1	107.2590	0.000	1	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6]2C)(CHHP)(H)2	H(CBCH)	H(CBCH)	C(BC[6]2C)(CHHP)(H)2	H(CBCH)	H(CBCH)	107.1070	0.000	1	107.1070	0.000	1	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6]N[6]C)(CH3)(H)2	H(CBCH)	H(CBCH)	C(BC[6]N[6]C)(CH3)(H)2	H(CBCH)	H(CBCH)	107.6362	0.144	5	107.6362	0.021	5	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]2C)(CCHH)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]2C)(CCHH)(H)2	H(CBCH)	H(CBCH)	106.5170	1.171	2	106.5170	1.371	2	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]2C)(CC[5]HH)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]2C)(CC[5]HH)(H)2	H(CBCH)	H(CBCH)	107.5410	0.149	3	107.5410	0.022	3	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]2C)(CC[6a]HH)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]2C)(CC[6a]HH)(H)2	H(CBCH)	H(CBCH)	107.5115	0.281	2	107.5115	0.079	2	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]2C)(CH3)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]2C)(CH3)(H)2	H(CBCH)	H(CBCH)	107.6890	0.000	1	107.6890	0.000	1	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]2C)(CHHP)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]2C)(CHHP)(H)2	H(CBCH)	H(CBCH)	108.0141	0.278	9	108.0141	0.077	9	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]2C)(CHHS)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]2C)(CHHS)(H)2	H(CBCH)	H(CBCH)	107.6660	0.000	1	107.6660	0.000	1	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]2H)(CCHH)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]2H)(CCHH)(H)2	H(CBCH)	H(CBCH)	107.0560	0.000	1	107.0560	0.000	1	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]2H)(CC[6a]HH)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]2H)(CC[6a]HH)(H)2	H(CBCH)	H(CBCH)	107.7310	0.000	1	107.7310	0.000	1	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]2H)(CHHP)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]2H)(CHHP)(H)2	H(CBCH)	H(CBCH)	108.3125	0.269	2	108.3125	0.073	2	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]2I)(CHHP)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]2I)(CHHP)(H)2	H(CBCH)	H(CBCH)	107.6420	0.000	1	107.6420	0.000	1	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]2N)(CCHP)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]2N)(CCHP)(H)2	H(CBCH)	H(CBCH)	107.2780	0.000	1	107.2780	0.000	1	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]2N[5])(CCHH)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]2N[5])(CCHH)(H)2	H(CBCH)	H(CBCH)	107.0670	0.000	1	107.0670	0.000	1	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]2N[6])(CCHP)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]2N[6])(CCHP)(H)2	H(CBCH)	H(CBCH)	107.6000	0.000	1	107.6000	0.000	1	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]2N[6])(CC[5]HH)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]2N[6])(CC[5]HH)(H)2	H(CBCH)	H(CBCH)	107.4850	0.000	1	107.4850	0.000	1	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]2N[6])(CC[6]HH)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]2N[6])(CC[6]HH)(H)2	H(CBCH)	H(CBCH)	107.7870	0.000	1	107.7870	0.000	1	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]2O)(CCHH)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]2O)(CCHH)(H)2	H(CBCH)	H(CBCH)	107.2207	0.632	3	107.2207	0.400	3	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]2O)(CCHP)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]2O)(CCHP)(H)2	H(CBCH)	H(CBCH)	107.1860	0.171	3	107.1860	0.029	3	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]2O)(CHHP)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]2O)(CHHP)(H)2	H(CBCH)	H(CBCH)	107.9067	0.335	3	107.9067	0.112	3	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]2O)(CP[5]HH)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]2O)(CP[5]HH)(H)2	H(CBCH)	H(CBCH)	107.4813	0.406	3	107.4813	0.165	3	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]3)(CB[5]HH)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]3)(CB[5]HH)(H)2	H(CBCH)	H(CBCH)	107.4520	0.000	1	107.4520	0.000	1	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]3)(CC3)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]3)(CC3)(H)2	H(CBCH)	H(CBCH)	104.4310	0.000	2	104.4310	0.000	2	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]3)(CCHN)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]3)(CCHN)(H)2	H(CBCH)	H(CBCH)	106.3485	1.754	2	106.3485	3.078	2	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]3)(CCHP)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]3)(CCHP)(H)2	H(CBCH)	H(CBCH)	106.7610	0.000	1	106.7610	0.000	1	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]3)(CH3)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]3)(CH3)(H)2	H(CBCH)	H(CBCH)	107.5120	0.000	2	107.5120	0.000	2	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]3)(CHHN)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]3)(CHHN)(H)2	H(CBCH)	H(CBCH)	107.6515	0.124	2	107.6515	0.015	2	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]3)(CHHP)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]3)(CHHP)(H)2	H(CBCH)	H(CBCH)	107.4480	0.584	2	107.4480	0.341	2	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]3)(CSiHH)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]3)(CSiHH)(H)2	H(CBCH)	H(CBCH)	107.3620	0.000	1	107.3620	0.000	1	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]C[5]H)(CC[6a]CH)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]C[5]H)(CC[6a]CH)(H)2	H(CBCH)	H(CBCH)	107.5910	0.000	1	107.5910	0.000	1	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]HP)(CCHP)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]HP)(CCHP)(H)2	H(CBCH)	H(CBCH)	108.1680	0.000	1	108.1680	0.000	1	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]N[6]C)(CCHP)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]N[6]C)(CCHP)(H)2	H(CBCH)	H(CBCH)	107.2510	0.000	1	107.2510	0.000	1	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]N[6]C)(CHHP)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]N[6]C)(CHHP)(H)2	H(CBCH)	H(CBCH)	107.3913	0.285	3	107.3913	0.081	3	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]N[6]H)(CCHP)(H)2	H(CBCH)	H(CBCH)	C(BC[6a]N[6]H)(CCHP)(H)2	H(CBCH)	H(CBCH)	107.9270	0.000	1	107.9270	0.000	1	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BN[5]2C)(CH3)(H)2	H(CBCH)	H(CBCH)	C(BN[5]2C)(CH3)(H)2	H(CBCH)	H(CBCH)	107.4950	0.115	2	107.4950	0.013	2	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BN[5]3)(CCHH)(H)2	H(CBCH)	H(CBCH)	C(BN[5]3)(CCHH)(H)2	H(CBCH)	H(CBCH)	106.9215	0.012	2	106.9215	0.000	2	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BN[5]CC)(CH3)(H)2	H(CBCH)	H(CBCH)	C(BN[5]CC)(CH3)(H)2	H(CBCH)	H(CBCH)	107.5607	0.191	3	107.5607	0.037	3	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BN[5]CC)(CIrCH)(H)2	H(CBCH)	H(CBCH)	C(BN[5]CC)(CIrCH)(H)2	H(CBCH)	H(CBCH)	107.0200	0.000	1	107.0200	0.000	1	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BN[5]CC)(CRhCH)(H)2	H(CBCH)	H(CBCH)	C(BN[5]CC)(CRhCH)(H)2	H(CBCH)	H(CBCH)	107.6350	0.141	2	107.6350	0.020	2	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BN[6]CC)(CH3)(H)2	H(CBCH)	H(CBCH)	C(BN[6]CC)(CH3)(H)2	H(CBCH)	H(CBCH)	107.5393	0.070	4	107.5393	0.005	4	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	C-4:	C-4:	C(BN[6]CO)(CH3)(H)2	H(CBCH)	H(CBCH)	C(BN[6]CO)(CH3)(H)2	H(CBCH)	H(CBCH)	107.4597	0.063	4	107.4597	0.004	4	107.3063	2.696	134	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:N-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]2C)(NCCH)(H)2	H(CBHN)	H(CBHN)	C(BC[6a]2C)(NCCH)(H)2	H(CBHN)	H(CBHN)	107.5650	0.000	1	107.5650	0.000	1	107.5650	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:P-4:H-1:H-1:	C-4:	C-4:	C(BC[6]CC)(PCrCC)(H)2	H(CBHP)	H(CBHP)	C(BC[6]CC)(PCrCC)(H)2	H(CBHP)	H(CBHP)	107.5193	0.200	3	107.5193	0.040	3	107.1582	0.171	87	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:P-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]2C)(PCCH)(H)2	H(CBHP)	H(CBHP)	C(BC[6a]2C)(PCCH)(H)2	H(CBHP)	H(CBHP)	107.3805	0.291	2	107.3805	0.084	2	107.1582	0.171	87	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:P-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]2C)(PC[6a]2W)(H)2	H(CBHP)	H(CBHP)	C(BC[6a]2C)(PC[6a]2W)(H)2	H(CBHP)	H(CBHP)	106.9438	0.333	6	106.9438	0.111	6	107.1582	0.171	87	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:P-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]2C)(PCuCC)(H)2	H(CBHP)	H(CBHP)	C(BC[6a]2C)(PCuCC)(H)2	H(CBHP)	H(CBHP)	106.0274	0.164	5	106.0274	0.027	5	107.1582	0.171	87	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:P-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]3)(PCCH)(H)2	H(CBHP)	H(CBHP)	C(BC[6a]3)(PCCH)(H)2	H(CBHP)	H(CBHP)	106.5790	0.000	1	106.5790	0.000	1	107.1582	0.171	87	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:P-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]CC)(PC[6a]2O)(H)2	H(CBHP)	H(CBHP)	C(BC[6a]CC)(PC[6a]2O)(H)2	H(CBHP)	H(CBHP)	106.4925	0.015	2	106.4925	0.000	2	107.1582	0.171	87	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:P-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]CC)(PC[6a]2W)(H)2	H(CBHP)	H(CBHP)	C(BC[6a]CC)(PC[6a]2W)(H)2	H(CBHP)	H(CBHP)	107.5362	0.209	6	107.5362	0.044	6	107.1582	0.171	87	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:P-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]CC)(PCoCC)(H)2	H(CBHP)	H(CBHP)	C(BC[6a]CC)(PCoCC)(H)2	H(CBHP)	H(CBHP)	107.5183	0.078	6	107.5183	0.006	6	107.1582	0.171	87	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:P-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]CC)(PFeCC)(H)2	H(CBHP)	H(CBHP)	C(BC[6a]CC)(PFeCC)(H)2	H(CBHP)	H(CBHP)	107.2700	0.227	35	107.2700	0.051	35	107.1582	0.171	87	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:P-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]CC)(PMnCC)(H)2	H(CBHP)	H(CBHP)	C(BC[6a]CC)(PMnCC)(H)2	H(CBHP)	H(CBHP)	107.0878	0.241	11	107.0878	0.058	11	107.1582	0.171	87	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:P-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]CC)(PNiCC)(H)2	H(CBHP)	H(CBHP)	C(BC[6a]CC)(PNiCC)(H)2	H(CBHP)	H(CBHP)	107.1863	0.243	4	107.1863	0.059	4	107.1582	0.171	87	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:P-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]N[5]2)(PC[6a]2O)(H)2	H(CBHP)	H(CBHP)	C(BC[6a]N[5]2)(PC[6a]2O)(H)2	H(CBHP)	H(CBHP)	106.7760	0.000	1	106.7760	0.000	1	107.1582	0.171	87	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B-4:P-4:H-1:H-1:	C-4:	C-4:	C(BC[6a]N[5]C)(PFeCC)(H)2	H(CBHP)	H(CBHP)	C(BC[6a]N[5]C)(PFeCC)(H)2	H(CBHP)	H(CBHP)	107.1630	0.354	5	107.1630	0.125	5	107.1582	0.171	87	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(B[4]P[4]2O)(CCCH)(H)2	H(CB[4]CH)	H(CB[4]CH)	C(B[4]P[4]2O)(CCCH)(H)2	H(CB[4]CH)	H(CB[4]CH)	106.7260	0.000	1	106.7260	0.000	1	106.7260	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(B[5]C[5,6a]N[5,6]C)(CH3)(H)2	H(CB[5]CH)	H(CB[5]CH)	C(B[5]C[5,6a]N[5,6]C)(CH3)(H)2	H(CB[5]CH)	H(CB[5]CH)	107.4288	0.110	4	107.4288	0.012	4	107.4288	0.012	4	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(B[5]C[4]O[5]2)(NC3)(H)2	H(CB[5]HN)	H(CB[5]HN)	C(B[5]C[4]O[5]2)(NC3)(H)2	H(CB[5]HN)	H(CB[5]HN)	106.8940	0.000	1	106.8940	0.000	1	106.8940	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B[5a]-4:C-4:H-1:H-1:	C-4:	C-4:	C(B[5a]C[5a,5a]N[5a,5a]C)(CH3)(H)2	H(CB[5a]CH)	H(CB[5a]CH)	C(B[5a]C[5a,5a]N[5a,5a]C)(CH3)(H)2	H(CB[5a]CH)	H(CB[5a]CH)	107.4065	0.163	2	107.4065	0.027	2	107.3937	0.025	8	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B[5a]-4:C-4:H-1:H-1:	C-4:	C-4:	C(B[5a]N[5a,6a]C[5,5a]C)(CH3)(H)2	H(CB[5a]CH)	H(CB[5a]CH)	C(B[5a]N[5a,6a]C[5,5a]C)(CH3)(H)2	H(CB[5a]CH)	H(CB[5a]CH)	107.4575	0.064	2	107.4575	0.004	2	107.3937	0.025	8	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B[5a]-4:C-4:H-1:H-1:	C-4:	C-4:	C(B[5a]N[5a,6a]N[5a]C)(CH3)(H)2	H(CB[5a]CH)	H(CB[5a]CH)	C(B[5a]N[5a,6a]N[5a]C)(CH3)(H)2	H(CB[5a]CH)	H(CB[5a]CH)	107.3555	0.208	4	107.3555	0.043	4	107.3937	0.025	8	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(B[6,6]C[6,6]2N)(CCHH)(H)2	H(CB[6,6]CH)	H(CB[6,6]CH)	C(B[6,6]C[6,6]2N)(CCHH)(H)2	H(CB[6,6]CH)	H(CB[6,6]CH)	107.3803	0.115	3	107.3803	0.013	3	106.4292	3.627	4	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(B[6,6]C[6,6]2N)(CN[5]HH)(H)2	H(CB[6,6]CH)	H(CB[6,6]CH)	C(B[6,6]C[6,6]2N)(CN[5]HH)(H)2	H(CB[6,6]CH)	H(CB[6,6]CH)	103.5760	0.000	1	103.5760	0.000	1	106.4292	3.627	4	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(B[6]C[5,6]O[6]C)(CH3)(H)2	H(CB[6]CH)	H(CB[6]CH)	C(B[6]C[5,6]O[6]C)(CH3)(H)2	H(CB[6]CH)	H(CB[6]CH)	107.5769	0.240	8	107.5769	0.058	8	107.1803	0.789	50	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(B[6]C[6]2O)(CC[6]HH)(H)2	H(CB[6]CH)	H(CB[6]CH)	C(B[6]C[6]2O)(CC[6]HH)(H)2	H(CB[6]CH)	H(CB[6]CH)	106.0680	0.554	2	106.0680	0.307	2	107.1803	0.789	50	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(B[6]N[5,6]2C)(CCHH)(H)2	H(CB[6]CH)	H(CB[6]CH)	C(B[6]N[5,6]2C)(CCHH)(H)2	H(CB[6]CH)	H(CB[6]CH)	107.1538	0.196	13	107.1538	0.039	13	107.1803	0.789	50	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(B[6]N[5,6]2C)(CH3)(H)2	H(CB[6]CH)	H(CB[6]CH)	C(B[6]N[5,6]2C)(CH3)(H)2	H(CB[6]CH)	H(CB[6]CH)	107.3870	0.119	3	107.3870	0.014	3	107.1803	0.789	50	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(B[6]N[5a,6]C[5,6]C)(CH3)(H)2	H(CB[6]CH)	H(CB[6]CH)	C(B[6]N[5a,6]C[5,6]C)(CH3)(H)2	H(CB[6]CH)	H(CB[6]CH)	107.4455	0.018	2	107.4455	0.000	2	107.1803	0.789	50	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	H(CB[6]CH)	H(CB[6]CH)	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	H(CB[6]CH)	H(CB[6]CH)	106.4567	1.972	8	106.4567	3.888	8	107.1803	0.789	50	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(B[6]N[6,6]N[6]C)(CH3)(H)2	H(CB[6]CH)	H(CB[6]CH)	C(B[6]N[6,6]N[6]C)(CH3)(H)2	H(CB[6]CH)	H(CB[6]CH)	107.4410	0.151	2	107.4410	0.023	2	107.1803	0.789	50	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(B[6]N[6,6]O[6]C)(CH3)(H)2	H(CB[6]CH)	H(CB[6]CH)	C(B[6]N[6,6]O[6]C)(CH3)(H)2	H(CB[6]CH)	H(CB[6]CH)	107.4675	0.282	10	107.4675	0.079	10	107.1803	0.789	50	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(B[6]N[6]O[6]C)(CH3)(H)2	H(CB[6]CH)	H(CB[6]CH)	C(B[6]N[6]O[6]C)(CH3)(H)2	H(CB[6]CH)	H(CB[6]CH)	107.5000	0.348	2	107.5000	0.121	2	107.1803	0.789	50	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B[6]-4:P-4:H-1:H-1:	C-4:	C-4:	C(B[6]C[6]2Yb)(PB[6]CC)(H)2	H(CB[6]HP)	H(CB[6]HP)	C(B[6]C[6]2Yb)(PB[6]CC)(H)2	H(CB[6]HP)	H(CB[6]HP)	107.4390	0.000	1	107.4390	0.000	1	107.4390	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B[6a]-4:C-4:H-1:H-1:	C-4:	C-4:	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	H(CB[6a]CH)	H(CB[6a]CH)	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	H(CB[6a]CH)	H(CB[6a]CH)	107.4364	0.095	7	107.4364	0.009	7	107.4424	0.020	13	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	B[6a]-4:C-4:H-1:H-1:	C-4:	C-4:	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	H(CB[6a]CH)	H(CB[6a]CH)	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	H(CB[6a]CH)	H(CB[6a]CH)	107.4493	0.195	6	107.4493	0.038	6	107.4424	0.020	13	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:B-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(BO3)(H)2	H(CBCH)	H(CBCH)	C(CCHH)(BO3)(H)2	H(CBCH)	H(CBCH)	107.8089	0.909	29	107.8089	0.826	29	107.8003	0.772	31	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:B-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[6]H)(BC[6a]2C)(H)2	H(CBCH)	H(CBCH)	C(CC[6a]N[6]H)(BC[6a]2C)(H)2	H(CBCH)	H(CBCH)	107.5780	0.000	1	107.5780	0.000	1	107.8003	0.772	31	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:B-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[6]H)(BC[6a]2H)(H)2	H(CBCH)	H(CBCH)	C(CC[6a]N[6]H)(BC[6a]2H)(H)2	H(CBCH)	H(CBCH)	107.7750	0.000	1	107.7750	0.000	1	107.8003	0.772	31	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CAgCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CAgCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	106.5650	0.063	4	106.5650	0.004	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CAl2C)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CAl2C)(CH3)(H)2	H(CCCH)	H(CCCH)	107.6950	0.000	1	107.6950	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CAlHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CAlHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4857	0.375	4	107.4857	0.141	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CAlNN)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CAlNN)(CH3)(H)2	H(CCCH)	H(CCCH)	108.1220	0.000	1	108.1220	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CAsHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CAsHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	106.7114	1.313	5	106.7114	1.724	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CAsHH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CAsHH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.0662	0.920	5	107.0662	0.846	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CAsHH)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CAsHH)(CHHS)(H)2	H(CCCH)	H(CCCH)	107.9860	0.178	2	107.9860	0.032	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CAs[5]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CAs[5]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.7560	0.000	1	107.7560	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CAuCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CAuCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.8790	0.000	1	107.8790	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CAuHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CAuHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.1050	0.000	1	108.1050	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CAuHH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CAuHH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.9920	0.000	1	107.9920	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CBCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CBCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.3678	0.123	4	107.3678	0.015	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CBCH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CBCH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.6567	0.069	3	107.6567	0.005	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CBHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CBHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6764	0.637	30	107.6764	0.406	30	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CBHH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CBHH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7370	0.321	2	107.7370	0.103	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CBHH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CBHH)(CHHN)(H)2	H(CCCH)	H(CCCH)	106.9070	0.000	1	106.9070	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CB[4x3,5,4x6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CB[4x3,5,4x6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4700	0.000	1	107.4700	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CB[5]CH)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CB[5]CH)(CC3)(H)2	H(CCCH)	H(CCCH)	107.3530	0.085	2	107.3530	0.007	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CB[5]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CB[5]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.2470	0.000	1	107.2470	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CB[5]CH)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CB[5]CH)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.8165	0.193	2	107.8165	0.037	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CB[5]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CB[5]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.7470	0.000	1	107.7470	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CB[5]HH)(CN[5]HH)(H)2	H(CCCH)	H(CCCH)	C(CB[5]HH)(CN[5]HH)(H)2	H(CCCH)	H(CCCH)	108.0587	0.149	3	108.0587	0.022	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CB[5]HH)2(H)2	H(CCCH)	H(CCCH)	C(CB[5]HH)2(H)2	H(CCCH)	H(CCCH)	108.1670	0.000	1	108.1670	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CB[6,6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CB[6,6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4750	0.000	1	107.4750	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CB[6,6]HH)(CN[5]HH)(H)2	H(CCCH)	H(CCCH)	C(CB[6,6]HH)(CN[5]HH)(H)2	H(CCCH)	H(CCCH)	107.8302	0.329	10	107.8302	0.108	10	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CB[6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CB[6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.1341	1.394	18	107.1341	1.943	18	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CBeHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CBeHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.2940	0.000	1	107.2940	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CBrCC)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CBrCC)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.3040	0.000	1	107.3040	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CBrCC)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CBrCC)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.3180	0.112	2	107.3180	0.012	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CBrCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CBrCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6186	0.292	38	107.6186	0.085	38	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CBrCH)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CBrCH)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.6680	0.000	1	107.6680	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CBrCH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CBrCH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7849	0.338	9	107.7849	0.114	9	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CBrCH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CBrCH)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.0200	0.617	2	107.0200	0.380	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CBrHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CBrHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.9469	0.665	52	107.9469	0.443	52	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CBrHH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CBrHH)(CHHN)(H)2	H(CCCH)	H(CCCH)	108.0440	0.266	5	108.0440	0.071	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CBrHH)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CBrHH)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.6750	0.228	6	107.6750	0.052	6	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CBrHS)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CBrHS)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.6187	0.155	3	107.6187	0.024	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC3)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC3)(CH3)(H)2	H(CCCH)	H(CCCH)	107.4188	0.736	43	107.4188	0.542	43	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC3)2(H)2	H(CCCH)	H(CCCH)	C(CC3)2(H)2	H(CCCH)	H(CCCH)	106.5330	0.000	1	106.5330	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCF)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CCCF)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6295	0.482	2	107.6295	0.232	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCF)(CCHN)(H)2	H(CCCH)	H(CCCH)	C(CCCF)(CCHN)(H)2	H(CCCH)	H(CCCH)	107.4380	0.000	1	107.4380	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCF)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CCCF)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.6350	0.000	1	107.6350	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCH)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CC3)(H)2	H(CCCH)	H(CCCH)	107.1227	0.188	10	107.1227	0.035	10	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCH)(CCCN)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CCCN)(H)2	H(CCCH)	H(CCCH)	107.1487	0.135	3	107.1487	0.018	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCH)(CCCO)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CCCO)(H)2	H(CCCH)	H(CCCH)	107.2887	0.170	9	107.2887	0.029	9	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.5164	1.108	317	107.5164	1.227	317	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCH)(CCHI)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CCHI)(H)2	H(CCCH)	H(CCCH)	107.2340	0.072	2	107.2340	0.005	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCH)(CCHN)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CCHN)(H)2	H(CCCH)	H(CCCH)	107.6733	2.890	398	107.6733	8.355	398	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCH)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.0538	0.960	44	107.0538	0.921	44	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCH)(CCOO)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CCOO)(H)2	H(CCCH)	H(CCCH)	107.5050	0.000	1	107.5050	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCH)(CCOP)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CCOP)(H)2	H(CCCH)	H(CCCH)	107.2985	0.359	2	107.2985	0.129	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCH)(CCl3)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CCl3)(H)2	H(CCCH)	H(CCCH)	107.2630	0.000	1	107.2630	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCH)(CF3)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CF3)(H)2	H(CCCH)	H(CCCH)	107.4550	0.000	1	107.4550	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7742	1.071	269	107.7742	1.148	269	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.4284	0.794	20	107.4284	0.631	20	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCH)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.6015	0.488	21	107.6015	0.238	21	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCH)(CHHP)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CHHP)(H)2	H(CCCH)	H(CCCH)	107.7145	0.078	2	107.7145	0.006	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCH)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CHHS)(H)2	H(CCCH)	H(CCCH)	108.4052	1.325	4	108.4052	1.757	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCH)(CHNP)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CHNP)(H)2	H(CCCH)	H(CCCH)	107.6595	0.008	2	107.6595	0.000	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCH)(CHOP)(H)2	H(CCCH)	H(CCCH)	C(CCCH)(CHOP)(H)2	H(CCCH)	H(CCCH)	107.4560	0.000	1	107.4560	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCH)2(H)2	H(CCCH)	H(CCCH)	C(CCCH)2(H)2	H(CCCH)	H(CCCH)	107.5494	0.789	44	107.5494	0.623	44	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCN)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CCCN)(CC3)(H)2	H(CCCH)	H(CCCH)	106.6749	0.855	28	106.6749	0.732	28	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCN)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CCCN)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4161	0.200	22	107.4161	0.040	22	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCN)(CCHN)(H)2	H(CCCH)	H(CCCH)	C(CCCN)(CCHN)(H)2	H(CCCH)	H(CCCH)	107.1142	1.313	128	107.1142	1.723	128	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCN)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CCCN)(CH3)(H)2	H(CCCH)	H(CCCH)	107.5961	0.841	28	107.5961	0.708	28	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCN)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CCCN)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.1480	0.000	1	107.1480	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCN)2(H)2	H(CCCH)	H(CCCH)	C(CCCN)2(H)2	H(CCCH)	H(CCCH)	107.2290	0.000	1	107.2290	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCO)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CCCO)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4279	0.624	54	107.4279	0.389	54	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCO)(CCHN)(H)2	H(CCCH)	H(CCCH)	C(CCCO)(CCHN)(H)2	H(CCCH)	H(CCCH)	107.2640	0.339	2	107.2640	0.115	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCO)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CCCO)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.6350	0.000	1	107.6350	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCO)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CCCO)(CH3)(H)2	H(CCCH)	H(CCCH)	107.6008	0.206	17	107.6008	0.042	17	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCO)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CCCO)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.4180	0.223	2	107.4180	0.050	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCO)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CCCO)(CHHS)(H)2	H(CCCH)	H(CCCH)	107.9050	0.000	1	107.9050	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCO)(CHOO)(H)2	H(CCCH)	H(CCCH)	C(CCCO)(CHOO)(H)2	H(CCCH)	H(CCCH)	107.4175	0.032	2	107.4175	0.001	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCO)(COOU)(H)2	H(CCCH)	H(CCCH)	C(CCCO)(COOU)(H)2	H(CCCH)	H(CCCH)	107.8430	0.000	1	107.8430	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCP)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CCCP)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4262	0.755	4	107.4262	0.570	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCP)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CCCP)(CH3)(H)2	H(CCCH)	H(CCCH)	107.3433	0.078	7	107.3433	0.006	7	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCS)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CCCS)(CCHH)(H)2	H(CCCH)	H(CCCH)	106.5020	0.000	1	106.5020	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCS)(CCHN)(H)2	H(CCCH)	H(CCCH)	C(CCCS)(CCHN)(H)2	H(CCCH)	H(CCCH)	107.0607	0.039	4	107.0607	0.002	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCS)(CF3)(H)2	H(CCCH)	H(CCCH)	C(CCCS)(CF3)(H)2	H(CCCH)	H(CCCH)	107.1390	0.000	1	107.1390	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCS)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CCCS)(CHHO)(H)2	H(CCCH)	H(CCCH)	108.2100	0.000	1	108.2100	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCCW)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CCCW)(CH3)(H)2	H(CCCH)	H(CCCH)	107.9000	0.108	3	107.9000	0.012	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCDH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CCDH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4850	0.000	1	107.4850	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCFF)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CCFF)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.7712	0.206	27	107.7712	0.042	27	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCFF)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CCFF)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.2920	0.434	2	107.2920	0.188	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCFF)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CCFF)(CHHS)(H)2	H(CCCH)	H(CCCH)	107.9340	0.294	5	107.9340	0.086	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCFH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CCFH)(CCHH)(H)2	H(CCCH)	H(CCCH)	109.0312	1.357	11	109.0312	1.842	11	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCFH)(CCHN)(H)2	H(CCCH)	H(CCCH)	C(CCFH)(CCHN)(H)2	H(CCCH)	H(CCCH)	108.7514	2.152	7	108.7514	4.631	7	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCFH)(CFHH)(H)2	H(CCCH)	H(CCCH)	C(CCFH)(CFHH)(H)2	H(CCCH)	H(CCCH)	107.8250	0.010	2	107.8250	0.000	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCFH)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CCFH)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.6440	0.000	1	107.6440	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CC3)(H)2	H(CCCH)	H(CCCH)	107.1311	1.961	82	107.1311	3.844	82	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CCHI)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CCHI)(H)2	H(CCCH)	H(CCCH)	108.5520	0.842	5	108.5520	0.709	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CCHN)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CCHN)(H)2	H(CCCH)	H(CCCH)	107.6554	1.162	403	107.6554	1.351	403	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.4889	0.892	261	107.4889	0.795	261	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CCHP)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CCHP)(H)2	H(CCCH)	H(CCCH)	107.5580	0.216	8	107.5580	0.047	8	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CCHS)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CCHS)(H)2	H(CCCH)	H(CCCH)	107.7032	0.665	31	107.7032	0.443	31	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CCII)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CCII)(H)2	H(CCCH)	H(CCCH)	107.3700	0.000	1	107.3700	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CCNP)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CCNP)(H)2	H(CCCH)	H(CCCH)	107.7935	0.023	2	107.7935	0.001	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CCNS)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CCNS)(H)2	H(CCCH)	H(CCCH)	107.6410	0.242	3	107.6410	0.059	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CCOO)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CCOO)(H)2	H(CCCH)	H(CCCH)	108.0064	1.857	11	108.0064	3.447	11	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CCl3)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CCl3)(H)2	H(CCCH)	H(CCCH)	107.6637	0.057	3	107.6637	0.003	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CF3)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CF3)(H)2	H(CCCH)	H(CCCH)	107.7733	0.136	8	107.7733	0.019	8	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CFFH)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CFFH)(H)2	H(CCCH)	H(CCCH)	108.0240	0.000	1	108.0240	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CFHH)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CFHH)(H)2	H(CCCH)	H(CCCH)	104.0960	0.000	1	104.0960	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7396	1.454	8039	107.7396	2.113	8039	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CHHI)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CHHI)(H)2	H(CCCH)	H(CCCH)	107.9135	0.253	8	107.9135	0.064	8	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.9582	1.493	4703	107.9582	2.229	4703	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.7798	0.898	1053	107.7798	0.807	1053	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CHHP)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CHHP)(H)2	H(CCCH)	H(CCCH)	107.7460	0.754	502	107.7460	0.568	502	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CHHS)(H)2	H(CCCH)	H(CCCH)	107.7664	0.893	231	107.7664	0.797	231	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CHHW)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CHHW)(H)2	H(CCCH)	H(CCCH)	107.6284	0.100	7	107.6284	0.010	7	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CHOO)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CHOO)(H)2	H(CCCH)	H(CCCH)	107.6284	0.138	5	107.6284	0.019	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CHOP)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CHOP)(H)2	H(CCCH)	H(CCCH)	108.9830	0.000	1	108.9830	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CLi3)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CLi3)(H)2	H(CCCH)	H(CCCH)	107.2800	0.000	1	107.2800	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CN3)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CN3)(H)2	H(CCCH)	H(CCCH)	107.6750	0.864	7	107.6750	0.747	7	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CNOY)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CNOY)(H)2	H(CCCH)	H(CCCH)	109.9755	3.265	2	109.9755	10.658	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CNPP)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CNPP)(H)2	H(CCCH)	H(CCCH)	107.1205	0.002	2	107.1205	0.000	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(COOU)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(COOU)(H)2	H(CCCH)	H(CCCH)	107.7941	0.483	8	107.7941	0.233	8	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(COPP)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(COPP)(H)2	H(CCCH)	H(CCCH)	107.3128	0.294	14	107.3128	0.087	14	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(CSe3)(H)2	H(CCCH)	H(CCCH)	C(CCHH)(CSe3)(H)2	H(CCCH)	H(CCCH)	107.5200	0.000	1	107.5200	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHH)2(H)2	H(CCCH)	H(CCCH)	C(CCHH)2(H)2	H(CCCH)	H(CCCH)	107.5658	1.350	11564	107.5658	1.821	11564	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHI)(CCHS)(H)2	H(CCCH)	H(CCCH)	C(CCHI)(CCHS)(H)2	H(CCCH)	H(CCCH)	107.4885	0.127	2	107.4885	0.016	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHI)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CCHI)(CHHO)(H)2	H(CCCH)	H(CCCH)	110.6610	2.364	3	110.6610	5.590	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHN)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CCHN)(CC3)(H)2	H(CCCH)	H(CCCH)	107.5470	0.000	1	107.5470	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHN)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CCHN)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.5909	0.210	11	107.5909	0.044	11	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHN)(CCHP)(H)2	H(CCCH)	H(CCCH)	C(CCHN)(CCHP)(H)2	H(CCCH)	H(CCCH)	108.5563	2.029	3	108.5563	4.118	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHN)(CF3)(H)2	H(CCCH)	H(CCCH)	C(CCHN)(CF3)(H)2	H(CCCH)	H(CCCH)	107.4970	0.000	1	107.4970	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHN)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CCHN)(CH3)(H)2	H(CCCH)	H(CCCH)	107.9261	1.993	117	107.9261	3.971	117	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHN)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CCHN)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.8526	0.732	19	107.8526	0.535	19	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHN)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CCHN)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.9851	0.930	10	107.9851	0.865	10	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHN)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CCHN)(CHHS)(H)2	H(CCCH)	H(CCCH)	107.7263	0.793	84	107.7263	0.630	84	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHN)2(H)2	H(CCCH)	H(CCCH)	C(CCHN)2(H)2	H(CCCH)	H(CCCH)	105.4412	3.188	4	105.4412	10.166	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHO)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CCHO)(CC3)(H)2	H(CCCH)	H(CCCH)	108.0983	1.596	8	108.0983	2.546	8	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHO)(CCHP)(H)2	H(CCCH)	H(CCCH)	C(CCHO)(CCHP)(H)2	H(CCCH)	H(CCCH)	107.9650	0.000	1	107.9650	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHO)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CCHO)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8749	1.176	71	107.8749	1.384	71	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHO)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CCHO)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.5931	0.309	27	107.5931	0.095	27	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHO)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CCHO)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.7158	0.443	22	107.7158	0.196	22	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHO)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CCHO)(CHHS)(H)2	H(CCCH)	H(CCCH)	107.1450	1.527	4	107.1450	2.332	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHO)(CHOO)(H)2	H(CCCH)	H(CCCH)	C(CCHO)(CHOO)(H)2	H(CCCH)	H(CCCH)	107.5630	0.000	1	107.5630	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHO)2(H)2	H(CCCH)	H(CCCH)	C(CCHO)2(H)2	H(CCCH)	H(CCCH)	107.3932	0.446	44	107.3932	0.199	44	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHP)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CCHP)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8587	0.028	3	107.8587	0.001	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHP)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CCHP)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.7770	0.000	1	107.7770	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHP)(CHHP)(H)2	H(CCCH)	H(CCCH)	C(CCHP)(CHHP)(H)2	H(CCCH)	H(CCCH)	107.3225	0.252	11	107.3225	0.063	11	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHP)2(H)2	H(CCCH)	H(CCCH)	C(CCHP)2(H)2	H(CCCH)	H(CCCH)	106.8517	0.491	4	106.8517	0.241	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHS)(CF3)(H)2	H(CCCH)	H(CCCH)	C(CCHS)(CF3)(H)2	H(CCCH)	H(CCCH)	107.3340	0.000	1	107.3340	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHS)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CCHS)(CH3)(H)2	H(CCCH)	H(CCCH)	107.4394	1.483	25	107.4394	2.199	25	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHS)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CCHS)(CHHS)(H)2	H(CCCH)	H(CCCH)	108.1200	0.000	1	108.1200	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCHS)2(H)2	H(CCCH)	H(CCCH)	C(CCHS)2(H)2	H(CCCH)	H(CCCH)	107.2433	0.205	6	107.2433	0.042	6	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCNP)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CCNP)(CH3)(H)2	H(CCCH)	H(CCCH)	107.6570	0.000	1	107.6570	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCOO)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CCOO)(CH3)(H)2	H(CCCH)	H(CCCH)	107.6611	0.036	7	107.6611	0.001	7	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCOO)2(H)2	H(CCCH)	H(CCCH)	C(CCOO)2(H)2	H(CCCH)	H(CCCH)	108.9200	0.000	1	108.9200	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCOW)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CCOW)(CH3)(H)2	H(CCCH)	H(CCCH)	107.3960	0.000	1	107.3960	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3,3,5,4x6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[3,3,5,4x6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	106.5090	0.000	1	106.5090	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3,3,6]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[3,3,6]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.4380	0.000	1	107.4380	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3,5,6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[3,5,6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	99.5414	0.000	1	99.5414	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3,5,6]HO)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[3,5,6]HO)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8600	0.000	1	107.8600	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3,5]CC)(CF3)(H)2	H(CCCH)	H(CCCH)	C(CC[3,5]CC)(CF3)(H)2	H(CCCH)	H(CCCH)	107.2550	0.000	1	107.2550	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3,5]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[3,5]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.2875	0.161	8	107.2875	0.026	8	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3,5]CH)(CC[3]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[3,5]CH)(CC[3]HH)(H)2	H(CCCH)	H(CCCH)	107.4465	0.046	2	107.4465	0.002	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3,5]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[3,5]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.7650	1.068	2	108.7650	1.140	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3,5]HH)(CC[6]CH)(H)2	H(CCCH)	H(CCCH)	C(CC[3,5]HH)(CC[6]CH)(H)2	H(CCCH)	H(CCCH)	107.0450	0.532	2	107.0450	0.283	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3,6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[3,6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4985	0.177	2	107.4985	0.032	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3,6]HO)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[3,6]HO)(CH3)(H)2	H(CCCH)	H(CCCH)	107.4510	0.000	1	107.4510	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3]CC)(CF3)(H)2	H(CCCH)	H(CCCH)	C(CC[3]CC)(CF3)(H)2	H(CCCH)	H(CCCH)	106.9905	0.047	2	106.9905	0.002	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[3]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6620	0.246	6	107.6620	0.060	6	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3]CH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[3]CH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.4677	0.095	3	107.4677	0.009	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3]ClH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[3]ClH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8573	0.084	3	107.8573	0.007	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3]HH)(CBrCH)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HH)(CBrCH)(H)2	H(CCCH)	H(CCCH)	107.0340	0.078	2	107.0340	0.006	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3]HH)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HH)(CC3)(H)2	H(CCCH)	H(CCCH)	107.3650	0.062	4	107.3650	0.004	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3]HH)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HH)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.2720	0.300	2	107.2720	0.090	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3]HH)(CCCO)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HH)(CCCO)(H)2	H(CCCH)	H(CCCH)	107.2664	0.336	5	107.2664	0.113	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.8101	0.884	79	107.8101	0.782	79	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3]HH)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HH)(CCHO)(H)2	H(CCCH)	H(CCCH)	106.9360	0.062	2	106.9360	0.004	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3]HH)(CC[5]CH)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HH)(CC[5]CH)(H)2	H(CCCH)	H(CCCH)	107.3800	0.076	2	107.3800	0.006	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3]HH)(CC[5]CO)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HH)(CC[5]CO)(H)2	H(CCCH)	H(CCCH)	106.8030	2.976	3	106.8030	8.859	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3]HH)(CC[6]CC)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HH)(CC[6]CC)(H)2	H(CCCH)	H(CCCH)	107.4890	2.847	3	107.4890	8.105	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7163	0.187	8	107.7163	0.035	8	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3]HH)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HH)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.7105	0.122	2	107.7105	0.015	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3]HH)(CPtCH)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HH)(CPtCH)(H)2	H(CCCH)	H(CCCH)	110.3980	0.000	1	110.3980	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3]HH)2(H)2	H(CCCH)	H(CCCH)	C(CC[3]HH)2(H)2	H(CCCH)	H(CCCH)	107.7435	0.029	2	107.7435	0.001	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3]HN)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HN)(CCHH)(H)2	H(CCCH)	H(CCCH)	109.9860	2.570	2	109.9860	6.603	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3]HO)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HO)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.0930	0.932	4	108.0930	0.868	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3]HO)(CC[5]CH)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HO)(CC[5]CH)(H)2	H(CCCH)	H(CCCH)	108.4920	1.382	2	108.4920	1.909	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3]HO)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[3]HO)(CH3)(H)2	H(CCCH)	H(CCCH)	107.4018	0.336	5	107.4018	0.113	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3a]CC)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[3a]CC)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.7166	3.490	16	107.7166	12.182	16	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3x3,3x5,12x6]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[3x3,3x5,12x6]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.6830	0.000	1	107.6830	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3x3,4,3x5,14x6]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[3x3,4,3x5,14x6]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4670	0.000	1	107.4670	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3x3,4,3x5,14x6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[3x3,4,3x5,14x6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.7956	0.252	7	107.7956	0.064	7	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3x5,6,6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[3x5,6,6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6630	0.000	1	107.6630	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3x5,6]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[3x5,6]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.2035	0.292	2	107.2035	0.085	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3x5,6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[3x5,6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.1410	0.000	1	107.1410	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3x6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[3x6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.8353	0.106	4	107.8353	0.011	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3x6]HH)(CClHH)(H)2	H(CCCH)	H(CCCH)	C(CC[3x6]HH)(CClHH)(H)2	H(CCCH)	H(CCCH)	108.0980	0.000	1	108.0980	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3x6]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[3x6]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	108.2520	1.189	7	108.2520	1.414	7	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[3x6]HH)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[3x6]HH)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.9280	0.000	1	107.9280	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4,3x5,6]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[4,3x5,6]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7880	0.000	1	107.7880	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4,3x6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[4,3x6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6170	0.000	1	107.6170	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4,3x6]HH)(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[4,3x6]HH)(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	109.4330	0.000	1	109.4330	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4,5,5,3x6]CH)(CC[5]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[4,5,5,3x6]CH)(CC[5]HH)(H)2	H(CCCH)	H(CCCH)	107.3160	0.000	1	107.3160	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4,5]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[4,5]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.6550	0.142	3	107.6550	0.020	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4,5]HO)(CC[5]CO)(H)2	H(CCCH)	H(CCCH)	C(CC[4,5]HO)(CC[5]CO)(H)2	H(CCCH)	H(CCCH)	106.8090	0.000	1	106.8090	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4,6]CC)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[4,6]CC)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.3645	1.563	2	108.3645	2.444	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4,6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[4,6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.4615	1.435	2	108.4615	2.058	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4,6]HH)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CC[4,6]HH)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.7190	0.000	1	107.7190	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4]CC)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[4]CC)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.1505	0.120	2	107.1505	0.014	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[4]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.8840	0.000	1	107.8840	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4]CH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[4]CH)(CH3)(H)2	H(CCCH)	H(CCCH)	108.4785	1.329	2	108.4785	1.765	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4]HH)(CCFF)(H)2	H(CCCH)	H(CCCH)	C(CC[4]HH)(CCFF)(H)2	H(CCCH)	H(CCCH)	107.2635	0.062	2	107.2635	0.004	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[4]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6561	1.090	62	107.6561	1.189	62	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4]HH)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CC[4]HH)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.7470	0.000	1	107.7470	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4]HH)(CC[5]CH)(H)2	H(CCCH)	H(CCCH)	C(CC[4]HH)(CC[5]CH)(H)2	H(CCCH)	H(CCCH)	107.4010	0.000	1	107.4010	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4]HH)(CC[5]CO)(H)2	H(CCCH)	H(CCCH)	C(CC[4]HH)(CC[5]CO)(H)2	H(CCCH)	H(CCCH)	107.0580	0.000	1	107.0580	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[4]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.6045	0.639	11	107.6045	0.408	11	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[4]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.7664	0.240	5	107.7664	0.058	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4]HH)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[4]HH)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.7180	0.000	1	107.7180	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4]HH)2(H)2	H(CCCH)	H(CCCH)	C(CC[4]HH)2(H)2	H(CCCH)	H(CCCH)	106.4065	0.991	8	106.4065	0.983	8	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4]HO)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[4]HO)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4860	0.262	2	107.4860	0.068	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4]HO)(CC[6]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[4]HO)(CC[6]HH)(H)2	H(CCCH)	H(CCCH)	107.2550	0.000	1	107.2550	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4]HS)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[4]HS)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.7280	0.000	1	107.7280	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[4x5,6]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[4x5,6]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.2410	0.000	1	107.2410	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,3x6]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[5,3x6]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.2512	0.140	4	107.2512	0.020	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,3x6]HH)(CN[5]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[5,3x6]HH)(CN[5]HH)(H)2	H(CCCH)	H(CCCH)	107.1690	0.000	1	107.1690	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,3x6]HH)(CN[6]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[5,3x6]HH)(CN[6]HH)(H)2	H(CCCH)	H(CCCH)	107.1720	0.000	1	107.1720	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,5,3x6]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[5,5,3x6]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	108.0180	0.000	1	108.0180	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,5,6,6]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[5,5,6,6]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	106.2140	0.000	1	106.2140	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,5,6]CO)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5,5,6]CO)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.2710	0.053	5	107.2710	0.003	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,5,6]CO)(CC[5]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[5,5,6]CO)(CC[5]HH)(H)2	H(CCCH)	H(CCCH)	107.2210	0.000	1	107.2210	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,5,6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5,5,6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.9180	0.000	1	107.9180	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,5,6]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5,5,6]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7780	0.000	1	107.7780	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,5]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5,5]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.9470	0.000	1	107.9470	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,5]CH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5,5]CH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8830	0.000	1	107.8830	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,5]CO)(CC[5]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[5,5]CO)(CC[5]HH)(H)2	H(CCCH)	H(CCCH)	107.1690	0.000	1	107.1690	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,5]HH)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5,5]HH)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.3580	0.000	1	107.3580	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,5]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5,5]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.5858	0.302	5	107.5858	0.091	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,5]HH)(CC[6]CH)(H)2	H(CCCH)	H(CCCH)	C(CC[5,5]HH)(CC[6]CH)(H)2	H(CCCH)	H(CCCH)	107.4470	0.000	1	107.4470	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,5]HH)(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[5,5]HH)(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	107.4740	0.000	1	107.4740	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,5]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5,5]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8765	0.165	16	107.8765	0.027	16	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,6,6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5,6,6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.3630	0.000	1	107.3630	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,6,6]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5,6,6]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	103.1130	0.803	2	103.1130	0.645	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,6,6]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[5,6,6]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	108.8650	0.000	1	108.8650	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,6,6]HO)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[5,6,6]HO)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.4040	0.000	1	107.4040	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,6,6]HO)(CN[6]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[5,6,6]HO)(CN[6]HH)(H)2	H(CCCH)	H(CCCH)	106.9880	0.000	1	106.9880	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,6]CC)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5,6]CC)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.0990	0.040	2	107.0990	0.002	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,6]CN)(CF3)(H)2	H(CCCH)	H(CCCH)	C(CC[5,6]CN)(CF3)(H)2	H(CCCH)	H(CCCH)	107.3520	0.000	1	107.3520	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5,6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	106.3221	2.014	11	106.3221	4.058	11	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,6]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5,6]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.9830	0.125	6	107.9830	0.016	6	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,6]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[5,6]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	101.7704	9.067	6	101.7704	82.202	6	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,6]HH)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[5,6]HH)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.8174	0.252	5	107.8174	0.064	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5,6]HN)(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[5,6]HN)(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	107.3435	0.097	2	107.3435	0.009	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]2C)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]2C)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.1880	0.168	2	107.1880	0.028	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]2C)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5]2C)(CH3)(H)2	H(CCCH)	H(CCCH)	107.5415	0.064	11	107.5415	0.004	11	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]2C)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[5]2C)(CHHN)(H)2	H(CCCH)	H(CCCH)	108.2100	0.000	1	108.2100	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]2H)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]2H)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.5250	0.000	1	107.5250	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]2H)(CC[5]CH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]2H)(CC[5]CH)(H)2	H(CCCH)	H(CCCH)	107.2190	0.106	2	107.2190	0.011	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]BrH)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]BrH)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.5150	0.000	1	107.5150	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]BrH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]BrH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.5150	0.216	5	107.5150	0.047	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]BrH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5]BrH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.6350	0.132	4	107.6350	0.018	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]CC)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CC)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.0523	0.481	15	107.0523	0.232	15	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]CC)(CC[6]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CC)(CC[6]HH)(H)2	H(CCCH)	H(CCCH)	107.4880	0.085	2	107.4880	0.007	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]CC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CC)(CH3)(H)2	H(CCCH)	H(CCCH)	107.4745	0.108	2	107.4745	0.012	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CH)(CC3)(H)2	H(CCCH)	H(CCCH)	107.0240	0.000	1	107.0240	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CH)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.7340	0.873	6	107.7340	0.762	6	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.8473	1.275	241	107.8473	1.626	241	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CH)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.3465	0.146	4	107.3465	0.021	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(CC[5]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CH)(CC[5]HH)(H)2	H(CCCH)	H(CCCH)	107.2536	0.368	5	107.2536	0.135	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(CC[5]HN)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CH)(CC[5]HN)(H)2	H(CCCH)	H(CCCH)	107.4399	0.181	16	107.4399	0.033	16	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(CC[5]HO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CH)(CC[5]HO)(H)2	H(CCCH)	H(CCCH)	107.7670	0.000	1	107.7670	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(CC[5]HP)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CH)(CC[5]HP)(H)2	H(CCCH)	H(CCCH)	107.3726	0.081	8	107.3726	0.007	8	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(CC[6]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CH)(CC[6]HH)(H)2	H(CCCH)	H(CCCH)	107.4730	0.000	1	107.4730	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7584	0.412	29	107.7584	0.170	29	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CH)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.5857	0.146	3	107.5857	0.021	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(CRuCC)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CH)(CRuCC)(H)2	H(CCCH)	H(CCCH)	107.0555	0.009	2	107.0555	0.000	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)(CZrHO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CH)(CZrHO)(H)2	H(CCCH)	H(CCCH)	108.0330	0.000	1	108.0330	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]CH)2(H)2	H(CCCH)	H(CCCH)	C(CC[5]CH)2(H)2	H(CCCH)	H(CCCH)	107.4990	0.215	7	107.4990	0.046	7	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]CO)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CO)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.1364	0.226	16	107.1364	0.051	16	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]CO)(CC[5]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CO)(CC[5]HH)(H)2	H(CCCH)	H(CCCH)	107.2940	0.504	6	107.2940	0.254	6	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]CO)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5]CO)(CH3)(H)2	H(CCCH)	H(CCCH)	107.2827	0.445	4	107.2827	0.198	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]ClH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]ClH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4000	0.112	2	107.4000	0.012	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]ClH)(CC[5]CH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]ClH)(CC[5]CH)(H)2	H(CCCH)	H(CCCH)	107.6333	0.054	3	107.6333	0.003	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]ClH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5]ClH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.5675	0.074	2	107.5675	0.006	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]FF)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]FF)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.3630	0.084	3	107.3630	0.007	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]FeH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5]FeH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.5690	0.000	1	107.5690	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CBHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CBHH)(H)2	H(CCCH)	H(CCCH)	107.4715	0.687	2	107.4715	0.471	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.5519	0.273	7	107.5519	0.074	7	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CCCO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CCCO)(H)2	H(CCCH)	H(CCCH)	107.2615	0.028	2	107.2615	0.001	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CCFF)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CCFF)(H)2	H(CCCH)	H(CCCH)	107.9625	0.018	2	107.9625	0.000	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.5722	1.393	370	107.5722	1.940	370	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CCHI)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CCHI)(H)2	H(CCCH)	H(CCCH)	107.4540	0.392	2	107.4540	0.153	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CCHN)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CCHN)(H)2	H(CCCH)	H(CCCH)	108.2860	0.998	2	108.2860	0.997	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.5383	0.786	9	107.5383	0.618	9	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CC[5]HO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CC[5]HO)(H)2	H(CCCH)	H(CCCH)	107.4465	0.090	2	107.4465	0.008	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CC[5]HP)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CC[5]HP)(H)2	H(CCCH)	H(CCCH)	107.7288	0.218	9	107.7288	0.048	9	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CC[5]HS)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CC[5]HS)(H)2	H(CCCH)	H(CCCH)	107.7415	0.237	2	107.7415	0.056	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CC[6]CH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CC[6]CH)(H)2	H(CCCH)	H(CCCH)	107.5180	0.285	4	107.5180	0.081	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CC[6]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CC[6]HH)(H)2	H(CCCH)	H(CCCH)	107.4950	0.119	2	107.4950	0.014	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CC[6]HO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CC[6]HO)(H)2	H(CCCH)	H(CCCH)	107.1810	0.636	2	107.1810	0.405	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CCl3)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CCl3)(H)2	H(CCCH)	H(CCCH)	107.7640	0.000	1	107.7640	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CClCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CClCH)(H)2	H(CCCH)	H(CCCH)	107.7380	0.000	1	107.7380	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CF3)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CF3)(H)2	H(CCCH)	H(CCCH)	107.8670	0.004	2	107.8670	0.000	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.3128	1.840	130	107.3128	3.385	130	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.0977	3.249	18	107.0977	10.555	18	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.9662	0.641	19	107.9662	0.411	19	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CHHS)(H)2	H(CCCH)	H(CCCH)	107.8150	0.000	1	107.8150	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CN[5]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CN[5]HH)(H)2	H(CCCH)	H(CCCH)	107.5025	0.187	4	107.5025	0.035	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CN[6]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CN[6]HH)(H)2	H(CCCH)	H(CCCH)	107.3202	0.133	5	107.3202	0.018	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CNiCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CNiCH)(H)2	H(CCCH)	H(CCCH)	107.9960	0.103	2	107.9960	0.011	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(CTiHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)(CTiHH)(H)2	H(CCCH)	H(CCCH)	108.3300	0.000	1	108.3300	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)2(H)2	H(CCCH)	H(CCCH)	C(CC[5]HH)2(H)2	H(CCCH)	H(CCCH)	107.9894	0.801	12	107.9894	0.642	12	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HI)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HI)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4675	0.397	2	107.4675	0.157	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HN)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HN)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.5845	0.022	2	107.5845	0.000	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HN)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HN)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6616	0.100	5	107.6616	0.010	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HN)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HN)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7228	0.200	6	107.7228	0.040	6	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HO)(CBrCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HO)(CBrCH)(H)2	H(CCCH)	H(CCCH)	108.4445	1.371	2	108.4445	1.880	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HO)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HO)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.7962	1.156	9	107.7962	1.336	9	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HO)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HO)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.5835	0.410	17	107.5835	0.168	17	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HO)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HO)(CCHO)(H)2	H(CCCH)	H(CCCH)	108.4327	1.868	3	108.4327	3.491	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HO)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HO)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7634	0.161	8	107.7634	0.026	8	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HO)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HO)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.2470	0.000	1	107.2470	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HO)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HO)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.6845	0.214	2	107.6845	0.046	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HP)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HP)(CH3)(H)2	H(CCCH)	H(CCCH)	109.6160	0.000	1	109.6160	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HS)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HS)(CCHH)(H)2	H(CCCH)	H(CCCH)	109.4370	2.565	2	109.4370	6.581	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HS)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5]HS)(CH3)(H)2	H(CCCH)	H(CCCH)	107.6430	0.000	1	107.6430	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]RuH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]RuH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6785	0.424	2	107.6785	0.179	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]RuH)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CC[5]RuH)(CHHS)(H)2	H(CCCH)	H(CCCH)	107.6640	0.000	1	107.6640	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5]SeH)(CClCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5]SeH)(CClCH)(H)2	H(CCCH)	H(CCCH)	107.4875	0.265	2	107.4875	0.070	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]2C)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]2C)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4418	0.172	28	107.4418	0.030	28	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]2C)(CC[5a]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]2C)(CC[5a]HH)(H)2	H(CCCH)	H(CCCH)	107.2698	0.367	6	107.2698	0.135	6	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]2C)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]2C)(CH3)(H)2	H(CCCH)	H(CCCH)	107.5183	0.313	80	107.5183	0.098	80	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]2C[6a])(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]2C[6a])(CCHH)(H)2	H(CCCH)	H(CCCH)	108.0935	0.895	4	108.0935	0.801	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]2H)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]2H)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.1650	0.000	1	107.1650	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]2H)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]2H)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.7370	0.157	2	107.7370	0.025	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]2H)(CClHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]2H)(CClHH)(H)2	H(CCCH)	H(CCCH)	107.7670	0.000	1	107.7670	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]2H)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]2H)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7730	0.000	1	107.7730	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]2H)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]2H)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.7590	0.000	1	107.7590	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]CC)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]CC)(CC3)(H)2	H(CCCH)	H(CCCH)	106.4043	0.082	3	106.4043	0.007	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]CC)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]CC)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.3610	0.000	1	107.3610	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]CH)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]CH)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.8240	0.000	1	107.8240	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4195	0.410	16	107.4195	0.168	16	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]CH)(CC[5]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]CH)(CC[5]HH)(H)2	H(CCCH)	H(CCCH)	107.9440	0.000	1	107.9440	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]CH)(CC[6]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]CH)(CC[6]HH)(H)2	H(CCCH)	H(CCCH)	107.8010	0.000	1	107.8010	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]CH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]CH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7939	0.188	7	107.7939	0.036	7	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[5]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C[5]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.2955	0.349	2	107.2955	0.122	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]C)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C[6a]C)(CH3)(H)2	H(CCCH)	H(CCCH)	107.4985	0.039	2	107.4985	0.002	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]H)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C[6a]H)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.7440	0.000	1	107.7440	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]H)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C[6a]H)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6100	0.000	1	107.6100	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]H)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C[6a]H)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.8640	0.000	1	107.8640	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]H)(CF3)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C[6a]H)(CF3)(H)2	H(CCCH)	H(CCCH)	107.4890	0.000	1	107.4890	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]H)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C[6a]H)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.9310	0.000	1	107.9310	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]N)(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C[6a]N)(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	107.9060	0.000	1	107.9060	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]O)(CN[6]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]C[6a]O)(CN[6]HH)(H)2	H(CCCH)	H(CCCH)	107.9330	0.170	2	107.9330	0.029	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(CBrHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HH)(CBrHH)(H)2	H(CCCH)	H(CCCH)	104.5900	4.473	2	104.5900	20.009	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6185	1.650	258	107.6185	2.723	258	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HH)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.3400	0.000	1	107.3400	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(CC[5]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HH)(CC[5]HH)(H)2	H(CCCH)	H(CCCH)	107.4357	0.634	4	107.4357	0.402	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HH)(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	107.5780	0.000	1	107.5780	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(CClHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HH)(CClHH)(H)2	H(CCCH)	H(CCCH)	107.7470	0.000	1	107.7470	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.6959	0.534	53	107.6959	0.285	53	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.6757	0.200	7	107.6757	0.040	7	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HH)(CHHO)(H)2	H(CCCH)	H(CCCH)	108.0807	1.040	29	108.0807	1.082	29	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HH)(CHHS)(H)2	H(CCCH)	H(CCCH)	107.8340	0.000	1	107.8340	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)2(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HH)2(H)2	H(CCCH)	H(CCCH)	108.9918	1.204	6	108.9918	1.450	6	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HN)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HN)(CCCH)(H)2	H(CCCH)	H(CCCH)	108.3595	1.060	2	108.3595	1.124	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HN)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HN)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.2920	0.000	1	107.2920	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HN)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HN)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.5835	0.122	2	107.5835	0.015	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HN)(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HN)(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	107.6350	0.057	2	107.6350	0.003	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HN)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HN)(CH3)(H)2	H(CCCH)	H(CCCH)	107.6630	0.000	1	107.6630	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HO)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HO)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.6880	0.129	2	107.6880	0.017	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HO)(CC[6a]CH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HO)(CC[6a]CH)(H)2	H(CCCH)	H(CCCH)	107.6630	0.000	1	107.6630	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HO)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HO)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.8907	0.083	3	107.8907	0.007	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HP)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HP)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.7740	0.000	1	107.7740	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HS)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HS)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.1240	0.000	1	108.1240	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HS)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]HS)(CH3)(H)2	H(CCCH)	H(CCCH)	107.9420	0.018	3	107.9420	0.000	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]NN)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]NN)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.7960	0.000	1	107.7960	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]N[6]H)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CC[5a]N[6]H)(CC3)(H)2	H(CCCH)	H(CCCH)	107.2030	0.000	1	107.2030	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.8418	0.356	5	107.8418	0.127	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6,6]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6,6]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6420	0.000	1	107.6420	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6,6]ClH)(CF3)(H)2	H(CCCH)	H(CCCH)	C(CC[6,6]ClH)(CF3)(H)2	H(CCCH)	H(CCCH)	107.6980	0.000	1	107.6980	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6,6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6,6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4061	1.151	9	107.4061	1.325	9	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6,6]HH)(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[6,6]HH)(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	107.4210	0.000	1	107.4210	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6,6]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6,6]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	111.5890	5.644	2	111.5890	31.856	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]2C)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]2C)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4445	0.240	4	107.4445	0.058	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]2H)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]2H)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.5770	0.113	2	107.5770	0.013	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]2O)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]2O)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.8440	0.000	1	107.8440	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]2O)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6]2O)(CH3)(H)2	H(CCCH)	H(CCCH)	109.4470	0.000	1	109.4470	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]AsH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]AsH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.9830	0.000	1	107.9830	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]BrH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]BrH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4120	0.000	1	107.4120	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]BrH)(CClHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]BrH)(CClHH)(H)2	H(CCCH)	H(CCCH)	107.4530	0.000	1	107.4530	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]BrH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6]BrH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.6840	0.000	1	107.6840	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]CC)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CC[6]CC)(CC3)(H)2	H(CCCH)	H(CCCH)	107.3493	1.737	3	107.3493	3.018	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]CC)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]CC)(CCHH)(H)2	H(CCCH)	H(CCCH)	106.0125	5.126	49	106.0125	26.271	49	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]CC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6]CC)(CH3)(H)2	H(CCCH)	H(CCCH)	108.1680	0.000	1	108.1680	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]CH)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]CH)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.4613	0.072	3	107.4613	0.005	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]CH)(CCCO)(H)2	H(CCCH)	H(CCCH)	C(CC[6]CH)(CCCO)(H)2	H(CCCH)	H(CCCH)	106.8660	0.000	1	106.8660	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.2545	0.611	41	107.2545	0.374	41	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]CH)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6]CH)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.6500	0.138	3	107.6500	0.019	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]CH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6]CH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7146	0.196	34	107.7146	0.038	34	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]CH)(CHHI)(H)2	H(CCCH)	H(CCCH)	C(CC[6]CH)(CHHI)(H)2	H(CCCH)	H(CCCH)	109.8670	0.000	1	109.8670	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]CN)(CF3)(H)2	H(CCCH)	H(CCCH)	C(CC[6]CN)(CF3)(H)2	H(CCCH)	H(CCCH)	107.2010	0.000	1	107.2010	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]CO)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]CO)(CCHH)(H)2	H(CCCH)	H(CCCH)	104.8380	3.437	2	104.8380	11.810	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]CO)(CC[6]OO)(H)2	H(CCCH)	H(CCCH)	C(CC[6]CO)(CC[6]OO)(H)2	H(CCCH)	H(CCCH)	107.3180	0.000	1	107.3180	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]CO)2(H)2	H(CCCH)	H(CCCH)	C(CC[6]CO)2(H)2	H(CCCH)	H(CCCH)	107.0983	0.080	3	107.0983	0.006	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]ClC)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]ClC)(CCHH)(H)2	H(CCCH)	H(CCCH)	106.8710	0.000	1	106.8710	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]ClC)(CCl3)(H)2	H(CCCH)	H(CCCH)	C(CC[6]ClC)(CCl3)(H)2	H(CCCH)	H(CCCH)	106.6230	0.000	1	106.6230	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]FF)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[6]FF)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.6270	0.000	1	107.6270	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CBrCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CBrCH)(H)2	H(CCCH)	H(CCCH)	106.8160	0.000	1	106.8160	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.4940	0.313	8	107.4940	0.098	8	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CCCO)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CCCO)(H)2	H(CCCH)	H(CCCH)	107.2713	0.163	6	107.2713	0.027	6	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.5996	1.284	372	107.5996	1.648	372	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CCHN)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CCHN)(H)2	H(CCCH)	H(CCCH)	109.9580	0.000	1	109.9580	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.7086	1.250	18	107.7086	1.563	18	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CC[6]HS)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CC[6]HS)(H)2	H(CCCH)	H(CCCH)	107.5080	0.000	1	107.5080	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CClHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CClHH)(H)2	H(CCCH)	H(CCCH)	107.6753	0.189	3	107.6753	0.036	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7002	1.006	111	107.7002	1.013	111	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.1882	2.197	11	107.1882	4.828	11	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.5565	1.340	13	107.5565	1.797	13	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CHHP)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CHHP)(H)2	H(CCCH)	H(CCCH)	107.6000	0.000	1	107.6000	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CHHS)(H)2	H(CCCH)	H(CCCH)	107.3165	0.974	2	107.3165	0.948	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CHOO)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CHOO)(H)2	H(CCCH)	H(CCCH)	107.9363	0.116	3	107.9363	0.013	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CN[5]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CN[5]HH)(H)2	H(CCCH)	H(CCCH)	107.3440	0.000	1	107.3440	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CN[6]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CN[6]HH)(H)2	H(CCCH)	H(CCCH)	107.1810	0.180	6	107.1810	0.032	6	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CP[4]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CP[4]HH)(H)2	H(CCCH)	H(CCCH)	107.8535	0.042	2	107.8535	0.002	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(CSiHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)(CSiHH)(H)2	H(CCCH)	H(CCCH)	107.8290	0.000	1	107.8290	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)2(H)2	H(CCCH)	H(CCCH)	C(CC[6]HH)2(H)2	H(CCCH)	H(CCCH)	107.4054	2.143	44	107.4054	4.592	44	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HI)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HI)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.8220	0.000	1	107.8220	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HN)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HN)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.5460	0.007	2	107.5460	0.000	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HN)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HN)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7775	0.168	2	107.7775	0.028	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HN)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HN)(CHHS)(H)2	H(CCCH)	H(CCCH)	107.5425	0.004	2	107.5425	0.000	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HO)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HO)(CC3)(H)2	H(CCCH)	H(CCCH)	106.5198	0.678	9	106.5198	0.460	9	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HO)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HO)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.7683	0.837	6	107.7683	0.701	6	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HO)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HO)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.9858	0.773	6	107.9858	0.598	6	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HO)(CCHN)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HO)(CCHN)(H)2	H(CCCH)	H(CCCH)	107.7910	0.000	1	107.7910	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HO)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HO)(CH3)(H)2	H(CCCH)	H(CCCH)	108.7810	1.400	2	108.7810	1.960	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HP)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HP)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6578	0.380	5	107.6578	0.144	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HS)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CC[6]HS)(CC3)(H)2	H(CCCH)	H(CCCH)	107.1990	0.000	1	107.1990	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]MnO)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]MnO)(CCHH)(H)2	H(CCCH)	H(CCCH)	109.5260	0.051	2	109.5260	0.003	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]N[6]H)(CC[6]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]N[6]H)(CC[6]HH)(H)2	H(CCCH)	H(CCCH)	107.7073	0.090	3	107.7073	0.008	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]OO)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]OO)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.3430	0.000	1	107.3430	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]PdC)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]PdC)(CCHH)(H)2	H(CCCH)	H(CCCH)	109.4540	0.000	1	109.4540	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6]TaH)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]TaH)(CCCH)(H)2	H(CCCH)	H(CCCH)	108.8125	0.375	2	108.8125	0.141	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2C)(CBrHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2C)(CBrHH)(H)2	H(CCCH)	H(CCCH)	107.7940	0.000	1	107.7940	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2C)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2C)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.1500	0.000	1	107.1500	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2C)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2C)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.7558	0.088	4	107.7558	0.008	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2C)(CCHN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2C)(CCHN)(H)2	H(CCCH)	H(CCCH)	107.5490	0.000	1	107.5490	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2C)(CF3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2C)(CF3)(H)2	H(CCCH)	H(CCCH)	107.1580	0.000	1	107.1580	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2C)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2C)(CH3)(H)2	H(CCCH)	H(CCCH)	107.5490	0.135	3	107.5490	0.018	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2C)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2C)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.8990	0.000	1	107.8990	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2C)(CHHP)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2C)(CHHP)(H)2	H(CCCH)	H(CCCH)	107.5770	0.000	1	107.5770	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2C)(CN[6]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2C)(CN[6]HH)(H)2	H(CCCH)	H(CCCH)	107.6317	0.249	3	107.6317	0.062	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2H)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2H)(CCCH)(H)2	H(CCCH)	H(CCCH)	108.1497	1.137	3	108.1497	1.292	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2H)(CCFF)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2H)(CCFF)(H)2	H(CCCH)	H(CCCH)	107.6280	0.000	1	107.6280	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2H)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2H)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6860	0.195	110	107.6860	0.038	110	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2H)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2H)(CCHO)(H)2	H(CCCH)	H(CCCH)	110.6080	1.150	2	110.6080	1.322	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2H)(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2H)(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	107.6311	0.257	13	107.6311	0.066	13	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2H)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2H)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7688	0.256	112	107.7688	0.066	112	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2H)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2H)(CHHN)(H)2	H(CCCH)	H(CCCH)	108.5534	0.841	7	108.5534	0.708	7	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2H)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2H)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.7160	0.000	1	107.7160	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2N)(CCl2H)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2N)(CCl2H)(H)2	H(CCCH)	H(CCCH)	107.5660	0.000	1	107.5660	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2O)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2O)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.7569	0.775	7	107.7569	0.600	7	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2O)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2O)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.4710	0.000	1	107.4710	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2O)(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2O)(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	107.6350	0.000	1	107.6350	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2O)(CClHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2O)(CClHH)(H)2	H(CCCH)	H(CCCH)	107.9420	0.000	1	107.9420	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2O)(CCo2C)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2O)(CCo2C)(H)2	H(CCCH)	H(CCCH)	107.7435	0.088	2	107.7435	0.008	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2O)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2O)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8900	0.000	1	107.8900	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2O)(CN[6]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2O)(CN[6]HH)(H)2	H(CCCH)	H(CCCH)	107.6428	0.155	6	107.6428	0.024	6	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2O)(CNiCC)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]2O)(CNiCC)(H)2	H(CCCH)	H(CCCH)	108.4680	0.000	1	108.4680	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]3)(CHHP)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]3)(CHHP)(H)2	H(CCCH)	H(CCCH)	107.5850	0.000	1	107.5850	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]BrC)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]BrC)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.1900	0.000	1	107.1900	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]BrH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]BrH)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.0540	0.000	1	108.0540	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CC)(CC3)(H)2	H(CCCH)	H(CCCH)	106.5609	0.553	26	106.5609	0.306	26	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CC)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.2577	0.167	3	107.2577	0.028	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(CCFF)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CC)(CCFF)(H)2	H(CCCH)	H(CCCH)	107.2372	0.205	5	107.2372	0.042	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CC)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4331	0.223	13	107.4331	0.050	13	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(CCHN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CC)(CCHN)(H)2	H(CCCH)	H(CCCH)	107.1050	0.000	1	107.1050	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CC)(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	107.2990	0.152	10	107.2990	0.023	10	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(CF3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CC)(CF3)(H)2	H(CCCH)	H(CCCH)	107.2195	0.040	2	107.2195	0.002	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(CFFH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CC)(CFFH)(H)2	H(CCCH)	H(CCCH)	107.3440	0.000	1	107.3440	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CC)(CH3)(H)2	H(CCCH)	H(CCCH)	107.5492	0.513	24	107.5492	0.263	24	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CC)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.3555	0.005	2	107.3555	0.000	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CF)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CF)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8220	0.000	1	107.8220	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CBrHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CBrHH)(H)2	H(CCCH)	H(CCCH)	107.5430	0.000	1	107.5430	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CC3)(H)2	H(CCCH)	H(CCCH)	107.8360	1.091	7	107.8360	1.190	7	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.5190	0.202	2	107.5190	0.041	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CCCO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CCCO)(H)2	H(CCCH)	H(CCCH)	107.1260	0.124	2	107.1260	0.015	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CCFF)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CCFF)(H)2	H(CCCH)	H(CCCH)	107.5345	0.183	2	107.5345	0.034	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CCFH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CCFH)(H)2	H(CCCH)	H(CCCH)	109.3930	0.000	1	109.3930	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4649	0.825	45	107.4649	0.681	45	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CCHN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CCHN)(H)2	H(CCCH)	H(CCCH)	107.1680	0.000	1	107.1680	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.5600	0.000	1	107.5600	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CC[5]CC)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CC[5]CC)(H)2	H(CCCH)	H(CCCH)	107.6090	0.000	1	107.6090	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CC[5]HO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CC[5]HO)(H)2	H(CCCH)	H(CCCH)	106.8070	0.000	1	106.8070	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CC[6]CC)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CC[6]CC)(H)2	H(CCCH)	H(CCCH)	106.9515	0.084	2	106.9515	0.007	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CC[6]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CC[6]HH)(H)2	H(CCCH)	H(CCCH)	107.6790	0.000	1	107.6790	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	107.7440	0.181	3	107.7440	0.033	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CC[6a]HN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CC[6a]HN)(H)2	H(CCCH)	H(CCCH)	107.5620	0.117	5	107.5620	0.014	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CC[6a]HO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CC[6a]HO)(H)2	H(CCCH)	H(CCCH)	107.6120	0.000	1	107.6120	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CF3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CF3)(H)2	H(CCCH)	H(CCCH)	107.6477	0.105	3	107.6477	0.011	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8842	0.678	126	107.8842	0.460	126	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.5668	0.276	6	107.5668	0.076	6	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.9914	1.192	20	107.9914	1.422	20	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)2(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CH)2(H)2	H(CCCH)	H(CCCH)	107.5250	0.000	1	107.5250	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CN)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CN)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.5550	0.000	1	107.5550	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CN)(CClCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CN)(CClCH)(H)2	H(CCCH)	H(CCCH)	107.5210	0.000	1	107.5210	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CN)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CN)(CH3)(H)2	H(CCCH)	H(CCCH)	107.0053	0.996	3	107.0053	0.992	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CO)(CCCH)(H)2	H(CCCH)	H(CCCH)	106.8990	0.000	1	106.8990	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CO)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.9026	1.287	7	107.9026	1.658	7	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CO)(CCHO)(H)2	H(CCCH)	H(CCCH)	105.8400	0.000	1	105.8400	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(CC[6]CO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CO)(CC[6]CO)(H)2	H(CCCH)	H(CCCH)	107.2560	0.076	3	107.2560	0.006	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(CC[6a]HN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CO)(CC[6a]HN)(H)2	H(CCCH)	H(CCCH)	107.3410	0.000	1	107.3410	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(CCl2C)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CO)(CCl2C)(H)2	H(CCCH)	H(CCCH)	106.8880	0.000	1	106.8880	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CO)(CH3)(H)2	H(CCCH)	H(CCCH)	107.4721	0.712	8	107.4721	0.507	8	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CO)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.8874	0.209	8	107.8874	0.044	8	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CO)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.4330	0.222	2	107.4330	0.049	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)2(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CO)2(H)2	H(CCCH)	H(CCCH)	107.0383	0.111	12	107.0383	0.012	12	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CS)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]CS)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.9330	0.000	1	107.9330	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[4]H)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[4]H)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8780	0.000	1	107.8780	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5]H)(CC[5]CC)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[5]H)(CC[5]CC)(H)2	H(CCCH)	H(CCCH)	107.1160	0.000	1	107.1160	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5]H)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[5]H)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7020	0.000	1	107.7020	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5]H)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[5]H)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.7570	0.000	1	107.7570	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5]H)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[5]H)(CHHO)(H)2	H(CCCH)	H(CCCH)	108.3545	0.776	2	108.3545	0.602	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5]O)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[5]O)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.5730	0.000	1	107.5730	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5]O)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[5]O)(CH3)(H)2	H(CCCH)	H(CCCH)	109.2900	0.000	1	109.2900	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[6]C)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.5870	0.000	1	107.5870	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]C)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[6]C)(CH3)(H)2	H(CCCH)	H(CCCH)	107.6010	0.000	1	107.6010	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]H)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[6]H)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.4885	0.049	2	107.4885	0.002	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]H)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[6]H)(CCHH)(H)2	H(CCCH)	H(CCCH)	106.7623	2.025	6	106.7623	4.099	6	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]H)(CC[6a]HO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[6]H)(CC[6a]HO)(H)2	H(CCCH)	H(CCCH)	107.6300	0.000	1	107.6300	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]H)(CCrCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[6]H)(CCrCH)(H)2	H(CCCH)	H(CCCH)	107.9890	0.000	1	107.9890	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]H)(CF3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[6]H)(CF3)(H)2	H(CCCH)	H(CCCH)	107.5880	0.000	1	107.5880	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]H)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[6]H)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8147	0.890	10	107.8147	0.792	10	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]O)(CN[6]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]C[6]O)(CN[6]HH)(H)2	H(CCCH)	H(CCCH)	107.9450	0.000	1	107.9450	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]FF)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]FF)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.3450	0.000	1	107.3450	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CBHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CBHH)(H)2	H(CCCH)	H(CCCH)	107.6180	0.000	1	107.6180	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CB[5]CH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CB[5]CH)(H)2	H(CCCH)	H(CCCH)	107.6043	0.122	3	107.6043	0.015	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CC3)(H)2	H(CCCH)	H(CCCH)	107.6583	0.159	3	107.6583	0.025	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.3591	1.038	12	107.3591	1.077	12	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CCCN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CCCN)(H)2	H(CCCH)	H(CCCH)	107.3978	0.116	4	107.3978	0.014	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CCCO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CCCO)(H)2	H(CCCH)	H(CCCH)	107.4644	0.377	7	107.4644	0.142	7	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.5889	1.519	458	107.5889	2.309	458	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CCHN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CCHN)(H)2	H(CCCH)	H(CCCH)	107.7993	0.158	27	107.7993	0.025	27	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.9897	0.599	11	107.9897	0.359	11	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CCHS)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CCHS)(H)2	H(CCCH)	H(CCCH)	107.9820	0.000	1	107.9820	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CC[3]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CC[3]HH)(H)2	H(CCCH)	H(CCCH)	109.1720	0.000	1	109.1720	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CC[5]CH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CC[5]CH)(H)2	H(CCCH)	H(CCCH)	107.5280	0.000	1	107.5280	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CC[5]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CC[5]HH)(H)2	H(CCCH)	H(CCCH)	107.3725	1.003	13	107.3725	1.006	13	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CC[5]HN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CC[5]HN)(H)2	H(CCCH)	H(CCCH)	106.9260	0.000	1	106.9260	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CC[6]CC)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CC[6]CC)(H)2	H(CCCH)	H(CCCH)	106.7750	0.000	1	106.7750	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CC[6]CH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CC[6]CH)(H)2	H(CCCH)	H(CCCH)	107.7285	0.086	2	107.7285	0.007	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CC[6]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CC[6]HH)(H)2	H(CCCH)	H(CCCH)	107.9790	0.382	21	107.9790	0.146	21	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CC[6]HN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CC[6]HN)(H)2	H(CCCH)	H(CCCH)	107.6470	0.000	1	107.6470	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CC[6]HO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CC[6]HO)(H)2	H(CCCH)	H(CCCH)	107.7245	0.050	2	107.7245	0.003	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CC[6a]HN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CC[6a]HN)(H)2	H(CCCH)	H(CCCH)	107.5800	0.168	2	107.5800	0.028	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CC[6a]HS)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CC[6a]HS)(H)2	H(CCCH)	H(CCCH)	107.9540	0.078	2	107.9540	0.006	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CClCC)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CClCC)(H)2	H(CCCH)	H(CCCH)	107.4905	0.101	2	107.4905	0.010	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CClHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CClHH)(H)2	H(CCCH)	H(CCCH)	107.3260	0.557	3	107.3260	0.310	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	108.1061	0.878	98	108.1061	0.771	98	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	108.1917	0.793	30	108.1917	0.629	30	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.7534	0.192	16	107.7534	0.037	16	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CHHP)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CHHP)(H)2	H(CCCH)	H(CCCH)	107.7610	0.000	1	107.7610	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CHNO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CHNO)(H)2	H(CCCH)	H(CCCH)	107.7870	0.000	1	107.7870	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CHNP)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CHNP)(H)2	H(CCCH)	H(CCCH)	107.9380	0.000	1	107.9380	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CIIN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CIIN)(H)2	H(CCCH)	H(CCCH)	107.6230	0.000	1	107.6230	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CLiBH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CLiBH)(H)2	H(CCCH)	H(CCCH)	107.8480	0.000	1	107.8480	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CN[4]CH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CN[4]CH)(H)2	H(CCCH)	H(CCCH)	107.5340	0.000	1	107.5340	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CN[5]CH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CN[5]CH)(H)2	H(CCCH)	H(CCCH)	107.5900	0.000	1	107.5900	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CN[5]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CN[5]HH)(H)2	H(CCCH)	H(CCCH)	107.9052	0.147	6	107.9052	0.022	6	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CN[5a]CC)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CN[5a]CC)(H)2	H(CCCH)	H(CCCH)	107.4000	0.061	2	107.4000	0.004	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CN[5a]CH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CN[5a]CH)(H)2	H(CCCH)	H(CCCH)	107.8410	0.292	3	107.8410	0.085	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CN[5a]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CN[5a]HH)(H)2	H(CCCH)	H(CCCH)	107.9716	0.541	10	107.9716	0.293	10	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CN[6]CH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CN[6]CH)(H)2	H(CCCH)	H(CCCH)	111.6530	0.000	1	111.6530	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CN[6]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CN[6]HH)(H)2	H(CCCH)	H(CCCH)	107.8976	0.135	10	107.8976	0.018	10	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CN[6a]CH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CN[6a]CH)(H)2	H(CCCH)	H(CCCH)	107.3500	0.000	1	107.3500	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CN[6a]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CN[6a]HH)(H)2	H(CCCH)	H(CCCH)	107.8227	0.286	3	107.8227	0.082	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(COsHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(COsHH)(H)2	H(CCCH)	H(CCCH)	107.7995	0.175	2	107.7995	0.031	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CP[4]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CP[4]HH)(H)2	H(CCCH)	H(CCCH)	107.9630	0.105	2	107.9630	0.011	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CPtCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CPtCH)(H)2	H(CCCH)	H(CCCH)	108.4310	0.000	1	108.4310	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CSiHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)(CSiHH)(H)2	H(CCCH)	H(CCCH)	108.6230	0.000	1	108.6230	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)2(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HH)2(H)2	H(CCCH)	H(CCCH)	107.4784	2.540	94	107.4784	6.453	94	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CB[5]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CB[5]HH)(H)2	H(CCCH)	H(CCCH)	107.6200	0.000	1	107.6200	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CC3)(H)2	H(CCCH)	H(CCCH)	107.1160	0.331	2	107.1160	0.110	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CCCH)(H)2	H(CCCH)	H(CCCH)	108.5725	1.289	2	108.5725	1.662	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.8300	0.639	11	107.8300	0.408	11	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CCHN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CCHN)(H)2	H(CCCH)	H(CCCH)	107.3135	0.022	2	107.3135	0.000	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.4680	0.346	4	107.4680	0.120	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CC[6]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CC[6]HH)(H)2	H(CCCH)	H(CCCH)	107.9270	0.011	2	107.9270	0.000	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CC[6a]HO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CC[6a]HO)(H)2	H(CCCH)	H(CCCH)	107.7420	0.000	1	107.7420	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CC[6a]HS)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CC[6a]HS)(H)2	H(CCCH)	H(CCCH)	107.4512	0.209	5	107.4512	0.043	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CClHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CClHH)(H)2	H(CCCH)	H(CCCH)	109.4650	0.000	1	109.4650	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CF3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CF3)(H)2	H(CCCH)	H(CCCH)	107.6280	0.000	1	107.6280	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CFFH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CFFH)(H)2	H(CCCH)	H(CCCH)	107.8420	0.086	2	107.8420	0.007	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CH3)(H)2	H(CCCH)	H(CCCH)	107.6438	0.512	18	107.6438	0.263	18	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.7385	0.086	2	107.7385	0.007	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.7443	0.187	3	107.7443	0.035	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HN)(CHHS)(H)2	H(CCCH)	H(CCCH)	107.6795	0.090	2	107.6795	0.008	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HO)(CC3)(H)2	H(CCCH)	H(CCCH)	107.3150	0.000	1	107.3150	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(CCFH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HO)(CCFH)(H)2	H(CCCH)	H(CCCH)	107.4743	0.291	3	107.4743	0.085	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HO)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6359	0.522	17	107.6359	0.272	17	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(CC[4]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HO)(CC[4]HH)(H)2	H(CCCH)	H(CCCH)	108.1402	0.774	5	108.1402	0.600	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(CClCC)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HO)(CClCC)(H)2	H(CCCH)	H(CCCH)	107.2740	0.000	1	107.2740	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HO)(CH3)(H)2	H(CCCH)	H(CCCH)	107.4758	0.371	4	107.4758	0.138	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HO)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.7576	0.265	5	107.7576	0.070	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HO)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.7827	0.102	3	107.7827	0.010	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(CN[5a]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HO)(CN[5a]HH)(H)2	H(CCCH)	H(CCCH)	107.6990	0.000	1	107.6990	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(CNiCC)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HO)(CNiCC)(H)2	H(CCCH)	H(CCCH)	109.3245	0.287	4	109.3245	0.082	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HP)(CC[5]HP)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HP)(CC[5]HP)(H)2	H(CCCH)	H(CCCH)	108.1133	0.096	4	108.1133	0.009	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HP)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HP)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.8480	0.000	1	107.8480	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HS)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HS)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.0440	0.000	1	108.0440	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HS)(CCl2H)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HS)(CCl2H)(H)2	H(CCCH)	H(CCCH)	107.5830	0.000	1	107.5830	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HS)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HS)(CH3)(H)2	H(CCCH)	H(CCCH)	108.0110	0.000	1	108.0110	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HS)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]HS)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.9310	0.000	1	107.9310	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[5]B)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]N[5]B)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7960	0.000	1	107.7960	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[5]H)(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]N[5]H)(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	107.8430	0.000	1	107.8430	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]OO)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]OO)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8535	0.043	2	107.8535	0.002	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]PdC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]PdC)(CH3)(H)2	H(CCCH)	H(CCCH)	107.4883	0.046	3	107.4883	0.002	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]PtC)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]PtC)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.3300	0.000	1	107.3300	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]RhH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]RhH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8000	0.000	1	107.8000	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]SiH)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]SiH)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.6100	0.000	1	107.6100	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]SiO)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CC[6a]SiO)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.1340	0.000	1	107.1340	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCdOO)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CCdOO)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4520	0.000	1	107.4520	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CClCC)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CClCC)(CCHH)(H)2	H(CCCH)	H(CCCH)	106.9185	0.513	4	106.9185	0.263	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CClCC)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CClCC)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.8060	0.000	1	107.8060	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CClCC)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CClCC)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.5200	0.071	2	107.5200	0.005	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CClCH)(CCCO)(H)2	H(CCCH)	H(CCCH)	C(CClCH)(CCCO)(H)2	H(CCCH)	H(CCCH)	107.2815	0.093	2	107.2815	0.009	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CClCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CClCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4148	0.295	14	107.4148	0.087	14	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CClCH)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CClCH)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.4618	0.348	6	107.4618	0.121	6	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CClCH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CClCH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.2867	0.717	7	107.2867	0.513	7	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CClCH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CClCH)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.2560	0.263	2	107.2560	0.069	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CClCH)2(H)2	H(CCCH)	H(CCCH)	C(CClCH)2(H)2	H(CCCH)	H(CCCH)	112.6720	0.000	1	112.6720	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CClHH)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CClHH)(CC3)(H)2	H(CCCH)	H(CCCH)	107.4950	0.000	1	107.4950	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CClHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CClHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6840	0.667	37	107.6840	0.445	37	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CClHH)(CCHN)(H)2	H(CCCH)	H(CCCH)	C(CClHH)(CCHN)(H)2	H(CCCH)	H(CCCH)	107.4560	0.000	1	107.4560	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CClHH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CClHH)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.4110	0.184	6	107.4110	0.034	6	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CClHH)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CClHH)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.6369	0.170	9	107.6369	0.029	9	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CClHH)(CHHP)(H)2	H(CCCH)	H(CCCH)	C(CClHH)(CHHP)(H)2	H(CCCH)	H(CCCH)	107.8910	0.000	1	107.8910	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CClHH)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CClHH)(CHHS)(H)2	H(CCCH)	H(CCCH)	109.4975	0.076	2	109.4975	0.006	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CClHH)(CRhHH)(H)2	H(CCCH)	H(CCCH)	C(CClHH)(CRhHH)(H)2	H(CCCH)	H(CCCH)	108.3160	0.000	1	108.3160	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCo2C)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CCo2C)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6707	0.235	4	107.6707	0.055	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCoCC)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CCoCC)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6280	0.000	1	107.6280	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCoCH)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CCoCH)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.9230	0.000	1	107.9230	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCoCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CCoCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6953	1.039	61	107.6953	1.079	61	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCoCH)(CHHP)(H)2	H(CCCH)	H(CCCH)	C(CCoCH)(CHHP)(H)2	H(CCCH)	H(CCCH)	108.1630	0.000	1	108.1630	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCoHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CCoHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.0783	1.037	7	108.0783	1.075	7	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCoHH)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CCoHH)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.3570	0.051	3	107.3570	0.003	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCoHH)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CCoHH)(CHHS)(H)2	H(CCCH)	H(CCCH)	108.1350	0.025	2	108.1350	0.001	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCoOO)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CCoOO)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4560	0.376	2	107.4560	0.142	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCrHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CCrHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.4800	4.083	2	108.4800	16.670	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCu2C)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CCu2C)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.0430	0.405	3	108.0430	0.164	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCu2C)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CCu2C)(CH3)(H)2	H(CCCH)	H(CCCH)	107.9153	0.196	6	107.9153	0.039	6	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCuCC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CCuCC)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7935	0.026	2	107.7935	0.001	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCuCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CCuCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.8725	0.382	4	107.8725	0.146	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCuHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CCuHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.9000	0.000	1	107.9000	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCuOO)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CCuOO)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.9110	0.000	1	107.9110	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CCuOO)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CCuOO)(CH3)(H)2	H(CCCH)	H(CCCH)	107.6450	0.000	1	107.6450	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CDyOO)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CDyOO)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.0955	0.450	2	108.0955	0.203	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CFHH)(CHHP)(H)2	H(CCCH)	H(CCCH)	C(CFHH)(CHHP)(H)2	H(CCCH)	H(CCCH)	87.4010	29.318	2	87.4010	859.545	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CFe2C)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CFe2C)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8910	0.000	1	107.8910	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CFeCC)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CFeCC)(CCCH)(H)2	H(CCCH)	H(CCCH)	111.4490	0.000	1	111.4490	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CFeCH)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CFeCH)(CCCH)(H)2	H(CCCH)	H(CCCH)	106.8870	0.000	1	106.8870	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CFeCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CFeCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.3976	1.120	25	107.3976	1.255	25	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CFeHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CFeHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	109.2890	0.000	1	109.2890	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CFeHH)(CHHP)(H)2	H(CCCH)	H(CCCH)	C(CFeHH)(CHHP)(H)2	H(CCCH)	H(CCCH)	108.1065	0.144	2	108.1065	0.021	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CFeOO)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CFeOO)(CH3)(H)2	H(CCCH)	H(CCCH)	107.5670	0.000	1	107.5670	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CGeCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CGeCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	106.9100	0.000	1	106.9100	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CGeHH)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CGeHH)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.4190	0.000	1	107.4190	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CGeHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CGeHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6760	0.208	2	107.6760	0.043	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CGeHH)(CF3)(H)2	H(CCCH)	H(CCCH)	C(CGeHH)(CF3)(H)2	H(CCCH)	H(CCCH)	107.7810	0.000	1	107.7810	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CGeHH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CGeHH)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.2080	0.075	2	107.2080	0.006	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CGe[5,3x6]HH)(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	C(CGe[5,3x6]HH)(CC[6a]HH)(H)2	H(CCCH)	H(CCCH)	107.6120	0.000	1	107.6120	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CH3)2(H)2	H(CCCH)	H(CCCH)	C(CH3)2(H)2	H(CCCH)	H(CCCH)	107.9730	0.243	6	107.9730	0.059	6	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHHI)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CHHI)(CHHN)(H)2	H(CCCH)	H(CCCH)	108.0283	0.157	3	108.0283	0.025	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHHI)(CHHW)(H)2	H(CCCH)	H(CCCH)	C(CHHI)(CHHW)(H)2	H(CCCH)	H(CCCH)	108.2880	0.000	1	108.2880	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CHHN)(CC3)(H)2	H(CCCH)	H(CCCH)	110.3140	4.991	3	110.3140	24.911	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CHHN)(CH3)(H)2	H(CCCH)	H(CCCH)	108.0822	1.323	625	108.0822	1.750	625	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CHHN)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.7423	0.807	89	107.7423	0.651	89	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(CHHP)(H)2	H(CCCH)	H(CCCH)	C(CHHN)(CHHP)(H)2	H(CCCH)	H(CCCH)	107.6937	0.156	39	107.6937	0.024	39	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CHHN)(CHHS)(H)2	H(CCCH)	H(CCCH)	107.7948	0.869	53	107.7948	0.755	53	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(CN3)(H)2	H(CCCH)	H(CCCH)	C(CHHN)(CN3)(H)2	H(CCCH)	H(CCCH)	108.6928	1.354	4	108.6928	1.832	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(COPP)(H)2	H(CCCH)	H(CCCH)	C(CHHN)(COPP)(H)2	H(CCCH)	H(CCCH)	100.2090	10.636	2	100.2090	113.132	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHHN)2(H)2	H(CCCH)	H(CCCH)	C(CHHN)2(H)2	H(CCCH)	H(CCCH)	107.6011	1.532	1455	107.6011	2.347	1455	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHHO)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CHHO)(CC3)(H)2	H(CCCH)	H(CCCH)	107.5960	0.410	3	107.5960	0.168	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHHO)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CHHO)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8606	1.167	285	107.8606	1.362	285	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHHO)(CHHP)(H)2	H(CCCH)	H(CCCH)	C(CHHO)(CHHP)(H)2	H(CCCH)	H(CCCH)	107.9811	1.522	21	107.9811	2.316	21	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHHO)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CHHO)(CHHS)(H)2	H(CCCH)	H(CCCH)	108.2245	0.881	4	108.2245	0.776	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHHO)2(H)2	H(CCCH)	H(CCCH)	C(CHHO)2(H)2	H(CCCH)	H(CCCH)	108.5436	7.680	78	108.5436	58.987	78	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHHP)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CHHP)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7104	0.876	77	107.7104	0.768	77	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHHP)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CHHP)(CHHS)(H)2	H(CCCH)	H(CCCH)	107.7739	0.259	9	107.7739	0.067	9	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHHP)(CHOP)(H)2	H(CCCH)	H(CCCH)	C(CHHP)(CHOP)(H)2	H(CCCH)	H(CCCH)	107.2000	0.000	1	107.2000	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHHP)(CNPP)(H)2	H(CCCH)	H(CCCH)	C(CHHP)(CNPP)(H)2	H(CCCH)	H(CCCH)	106.8000	0.660	2	106.8000	0.436	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHHP)(COOU)(H)2	H(CCCH)	H(CCCH)	C(CHHP)(COOU)(H)2	H(CCCH)	H(CCCH)	107.6690	0.000	1	107.6690	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHHP)2(H)2	H(CCCH)	H(CCCH)	C(CHHP)2(H)2	H(CCCH)	H(CCCH)	107.4789	1.290	228	107.4789	1.664	228	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHHS)(CF3)(H)2	H(CCCH)	H(CCCH)	C(CHHS)(CF3)(H)2	H(CCCH)	H(CCCH)	108.4130	0.000	1	108.4130	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHHS)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CHHS)(CH3)(H)2	H(CCCH)	H(CCCH)	107.9456	0.421	76	107.9456	0.177	76	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHHS)2(H)2	H(CCCH)	H(CCCH)	C(CHHS)2(H)2	H(CCCH)	H(CCCH)	107.6498	0.870	224	107.6498	0.757	224	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHHW)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CHHW)(CH3)(H)2	H(CCCH)	H(CCCH)	119.6650	0.000	1	119.6650	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHNP)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CHNP)(CH3)(H)2	H(CCCH)	H(CCCH)	107.6473	0.215	3	107.6473	0.046	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHPS)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CHPS)(CC3)(H)2	H(CCCH)	H(CCCH)	109.4680	0.000	1	109.4680	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHSS)2(H)2	H(CCCH)	H(CCCH)	C(CHSS)2(H)2	H(CCCH)	H(CCCH)	107.5930	0.000	2	107.5930	0.000	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHfHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CHfHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.7950	0.000	1	107.7950	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CHfNN)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CHfNN)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.1984	0.520	5	108.1984	0.271	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CIr2C)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CIr2C)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.3970	0.100	2	108.3970	0.010	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CIrCC)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CIrCC)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.3420	0.000	1	108.3420	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CIrCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CIrCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.7384	0.870	1189	107.7384	0.756	1189	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CIrCH)2(H)2	H(CCCH)	H(CCCH)	C(CIrCH)2(H)2	H(CCCH)	H(CCCH)	108.3380	0.000	1	108.3380	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CIrHH)(CCCF)(H)2	H(CCCH)	H(CCCH)	C(CIrHH)(CCCF)(H)2	H(CCCH)	H(CCCH)	107.2190	0.000	1	107.2190	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CIrHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CIrHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.7520	0.115	2	107.7520	0.013	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CIrHH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CIrHH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.6300	0.000	1	107.6300	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CIrHH)(CHHP)(H)2	H(CCCH)	H(CCCH)	C(CIrHH)(CHHP)(H)2	H(CCCH)	H(CCCH)	108.2730	0.000	1	108.2730	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CIrOO)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CIrOO)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8180	0.000	1	107.8180	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CLiSiH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CLiSiH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.4600	0.000	1	107.4600	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CMgCC)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CMgCC)(CCHH)(H)2	H(CCCH)	H(CCCH)	106.0115	1.871	4	106.0115	3.501	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CMgHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CMgHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.5811	0.881	18	107.5811	0.777	18	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CMgNN)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CMgNN)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6197	0.123	4	107.6197	0.015	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CMnOO)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CMnOO)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.5700	0.118	3	107.5700	0.014	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CMnOO)(CHHP)(H)2	H(CCCH)	H(CCCH)	C(CMnOO)(CHHP)(H)2	H(CCCH)	H(CCCH)	107.4140	0.000	1	107.4140	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CMoCC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CMoCC)(CH3)(H)2	H(CCCH)	H(CCCH)	107.9500	0.014	2	107.9500	0.000	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CMoCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CMoCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.3521	1.661	18	108.3521	2.760	18	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CMoCH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CMoCH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.9950	0.000	1	107.9950	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CMoOO)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CMoOO)(CC3)(H)2	H(CCCH)	H(CCCH)	107.5960	0.000	1	107.5960	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CNNY)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CNNY)(CH3)(H)2	H(CCCH)	H(CCCH)	106.4850	0.000	1	106.4850	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CNPP)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CNPP)(CH3)(H)2	H(CCCH)	H(CCCH)	107.3522	0.158	4	107.3522	0.025	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[3]CC)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CN[3]CC)(CC3)(H)2	H(CCCH)	H(CCCH)	106.5810	0.000	1	106.5810	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[3]HN)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CN[3]HN)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.8590	0.000	1	107.8590	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[3x6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CN[3x6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.3324	0.173	7	108.3324	0.030	7	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[3x6]HH)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CN[3x6]HH)(CHHS)(H)2	H(CCCH)	H(CCCH)	108.4630	0.000	1	108.4630	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[4]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CN[4]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.0960	0.000	2	108.0960	0.000	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[4]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CN[4]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	108.0143	0.118	4	108.0143	0.014	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[4]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CN[4]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.4680	0.000	1	107.4680	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[4]HH)(CN[6]HH)(H)2	H(CCCH)	H(CCCH)	C(CN[4]HH)(CN[6]HH)(H)2	H(CCCH)	H(CCCH)	107.6515	0.250	2	107.6515	0.062	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[4]HH)2(H)2	H(CCCH)	H(CCCH)	C(CN[4]HH)2(H)2	H(CCCH)	H(CCCH)	107.2933	0.959	4	107.2933	0.919	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5,5]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CN[5,5]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.7230	0.506	2	107.7230	0.256	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]CC)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CN[5]CC)(CC3)(H)2	H(CCCH)	H(CCCH)	106.4200	0.000	1	106.4200	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]CF)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CN[5]CF)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.0760	0.000	1	108.0760	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]CH)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CN[5]CH)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.4553	0.097	4	107.4553	0.009	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CN[5]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.5035	0.296	46	107.5035	0.088	46	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]CH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CN[5]CH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.9701	0.761	27	107.9701	0.579	27	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]CH)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CN[5]CH)(CHHS)(H)2	H(CCCH)	H(CCCH)	107.8380	0.118	4	107.8380	0.014	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]CH)(CN[5]HH)(H)2	H(CCCH)	H(CCCH)	C(CN[5]CH)(CN[5]HH)(H)2	H(CCCH)	H(CCCH)	107.4070	0.000	1	107.4070	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]ClH)(CClCC)(H)2	H(CCCH)	H(CCCH)	C(CN[5]ClH)(CClCC)(H)2	H(CCCH)	H(CCCH)	107.7060	0.000	1	107.7060	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CBrCH)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CBrCH)(H)2	H(CCCH)	H(CCCH)	107.9080	0.000	1	107.9080	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CBrHH)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CBrHH)(H)2	H(CCCH)	H(CCCH)	107.7057	0.162	4	107.7057	0.026	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.3736	0.504	5	107.3736	0.254	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CCFF)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CCFF)(H)2	H(CCCH)	H(CCCH)	107.7190	0.000	1	107.7190	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.8066	1.091	848	107.8066	1.190	848	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.7416	0.268	5	107.7416	0.072	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CClHH)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CClHH)(H)2	H(CCCH)	H(CCCH)	107.7515	0.039	2	107.7515	0.002	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7734	1.419	153	107.7734	2.013	153	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CHHI)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CHHI)(H)2	H(CCCH)	H(CCCH)	108.3950	0.000	1	108.3950	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.8687	0.259	34	107.8687	0.067	34	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.8738	0.268	16	107.8738	0.072	16	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CHHP)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CHHP)(H)2	H(CCCH)	H(CCCH)	108.2828	0.268	5	108.2828	0.072	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CHHS)(H)2	H(CCCH)	H(CCCH)	107.9684	0.691	23	107.9684	0.477	23	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CIrCH)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CIrCH)(H)2	H(CCCH)	H(CCCH)	107.8640	0.000	1	107.8640	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CN[6]HH)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CN[6]HH)(H)2	H(CCCH)	H(CCCH)	107.6699	0.339	9	107.6699	0.115	9	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CNiCH)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CNiCH)(H)2	H(CCCH)	H(CCCH)	107.8987	0.089	3	107.8987	0.008	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CReCH)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CReCH)(H)2	H(CCCH)	H(CCCH)	107.4600	0.000	1	107.4600	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CRuCH)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CRuCH)(H)2	H(CCCH)	H(CCCH)	107.4120	0.000	1	107.4120	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CSiHH)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CSiHH)(H)2	H(CCCH)	H(CCCH)	107.9233	0.133	3	107.9233	0.018	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CSiHO)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CSiHO)(H)2	H(CCCH)	H(CCCH)	104.5690	0.000	1	104.5690	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(CSn2H)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)(CSn2H)(H)2	H(CCCH)	H(CCCH)	107.6790	0.000	1	107.6790	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)2(H)2	H(CCCH)	H(CCCH)	C(CN[5]HH)2(H)2	H(CCCH)	H(CCCH)	107.7183	0.496	70	107.7183	0.246	70	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HO)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CN[5]HO)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7960	0.325	2	107.7960	0.106	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]CC)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]CC)(CC3)(H)2	H(CCCH)	H(CCCH)	106.2357	0.495	3	106.2357	0.245	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]CH)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]CH)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.5150	0.047	3	107.5150	0.002	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.7440	0.000	1	107.7440	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]CH)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]CH)(CCHO)(H)2	H(CCCH)	H(CCCH)	107.2400	0.000	1	107.2400	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]CH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]CH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.4970	0.361	6	107.4970	0.131	6	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(CBrHH)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]HH)(CBrHH)(H)2	H(CCCH)	H(CCCH)	107.8530	0.000	1	107.8530	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]HH)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.6377	0.134	3	107.6377	0.018	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.9126	1.076	275	107.9126	1.158	275	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]HH)(CCHO)(H)2	H(CCCH)	H(CCCH)	106.4920	0.901	2	106.4920	0.812	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(CClHH)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]HH)(CClHH)(H)2	H(CCCH)	H(CCCH)	107.8135	0.142	2	107.8135	0.020	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8605	0.737	37	107.8605	0.543	37	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	108.0694	1.151	20	108.0694	1.324	20	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]HH)(CHHO)(H)2	H(CCCH)	H(CCCH)	108.0682	0.144	9	108.0682	0.021	9	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(CHHP)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]HH)(CHHP)(H)2	H(CCCH)	H(CCCH)	108.1293	0.907	3	108.1293	0.822	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]HH)(CHHS)(H)2	H(CCCH)	H(CCCH)	107.4750	0.174	2	107.4750	0.030	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(CN3)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]HH)(CN3)(H)2	H(CCCH)	H(CCCH)	109.1370	0.000	1	109.1370	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(CN[5]HH)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]HH)(CN[5]HH)(H)2	H(CCCH)	H(CCCH)	107.8742	0.190	20	107.8742	0.036	20	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(CN[6]HH)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]HH)(CN[6]HH)(H)2	H(CCCH)	H(CCCH)	108.3006	0.585	5	108.3006	0.342	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(CN[6a]HH)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]HH)(CN[6a]HH)(H)2	H(CCCH)	H(CCCH)	107.7408	0.139	5	107.7408	0.019	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(CSiCO)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]HH)(CSiCO)(H)2	H(CCCH)	H(CCCH)	107.0010	0.000	1	107.0010	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(CSiHH)(H)2	H(CCCH)	H(CCCH)	C(CN[5a]HH)(CSiHH)(H)2	H(CCCH)	H(CCCH)	107.8920	0.247	3	107.8920	0.061	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)2(H)2	H(CCCH)	H(CCCH)	C(CN[5a]HH)2(H)2	H(CCCH)	H(CCCH)	107.6446	1.421	31	107.6446	2.021	31	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6,6]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CN[6,6]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8780	0.000	1	107.8780	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CN[6]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.1690	0.433	10	107.1690	0.188	10	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6]CH)(CCHN)(H)2	H(CCCH)	H(CCCH)	C(CN[6]CH)(CCHN)(H)2	H(CCCH)	H(CCCH)	107.4590	0.076	3	107.4590	0.006	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6]CH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CN[6]CH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7555	0.575	11	107.7555	0.331	11	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(CBHH)(H)2	H(CCCH)	H(CCCH)	C(CN[6]HH)(CBHH)(H)2	H(CCCH)	H(CCCH)	107.5478	0.384	4	107.5478	0.147	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(CBrCH)(H)2	H(CCCH)	H(CCCH)	C(CN[6]HH)(CBrCH)(H)2	H(CCCH)	H(CCCH)	107.5610	0.000	1	107.5610	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(CBrHH)(H)2	H(CCCH)	H(CCCH)	C(CN[6]HH)(CBrHH)(H)2	H(CCCH)	H(CCCH)	107.8540	0.000	1	107.8540	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CN[6]HH)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.6858	0.272	5	107.6858	0.074	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.8081	1.125	389	107.8081	1.265	389	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(CClHH)(H)2	H(CCCH)	H(CCCH)	C(CN[6]HH)(CClHH)(H)2	H(CCCH)	H(CCCH)	108.0200	0.000	1	108.0200	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CN[6]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	108.0544	0.522	84	108.0544	0.272	84	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(CHHI)(H)2	H(CCCH)	H(CCCH)	C(CN[6]HH)(CHHI)(H)2	H(CCCH)	H(CCCH)	107.7380	0.000	1	107.7380	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.5703	1.198	56	107.5703	1.434	56	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CN[6]HH)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.7269	0.963	23	107.7269	0.928	23	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CN[6]HH)(CHHS)(H)2	H(CCCH)	H(CCCH)	107.6706	1.396	8	107.6706	1.948	8	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(COPP)(H)2	H(CCCH)	H(CCCH)	C(CN[6]HH)(COPP)(H)2	H(CCCH)	H(CCCH)	107.3680	0.000	1	107.3680	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(CSiHH)(H)2	H(CCCH)	H(CCCH)	C(CN[6]HH)(CSiHH)(H)2	H(CCCH)	H(CCCH)	107.9290	0.000	1	107.9290	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)2(H)2	H(CCCH)	H(CCCH)	C(CN[6]HH)2(H)2	H(CCCH)	H(CCCH)	107.6452	0.958	15	107.6452	0.918	15	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HO)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CN[6]HO)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.3760	0.000	1	107.3760	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6a]CC)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CN[6a]CC)(CC3)(H)2	H(CCCH)	H(CCCH)	106.4185	0.005	2	106.4185	0.000	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6a]CH)(CBrHH)(H)2	H(CCCH)	H(CCCH)	C(CN[6a]CH)(CBrHH)(H)2	H(CCCH)	H(CCCH)	107.5455	0.127	2	107.5455	0.016	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6a]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CN[6a]CH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.5523	0.429	10	107.5523	0.184	10	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6a]CH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CN[6a]CH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.6619	0.102	16	107.6619	0.010	16	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6a]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CN[6a]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.0819	2.377	88	108.0819	5.651	88	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6a]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CN[6a]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	108.1304	1.396	20	108.1304	1.950	20	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6a]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CN[6a]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.7225	0.439	2	107.7225	0.193	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6a]HH)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CN[6a]HH)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.8973	0.250	7	107.8973	0.063	7	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6a]HH)(CN[5]HH)(H)2	H(CCCH)	H(CCCH)	C(CN[6a]HH)(CN[5]HH)(H)2	H(CCCH)	H(CCCH)	107.8360	0.252	13	107.8360	0.063	13	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CN[6a]HH)2(H)2	H(CCCH)	H(CCCH)	C(CN[6a]HH)2(H)2	H(CCCH)	H(CCCH)	107.9630	0.475	2	107.9630	0.226	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CNiCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CNiCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6387	0.911	75	107.6387	0.829	75	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CNiCH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CNiCH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.9050	0.000	1	107.9050	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CNiCH)(CHHP)(H)2	H(CCCH)	H(CCCH)	C(CNiCH)(CHHP)(H)2	H(CCCH)	H(CCCH)	107.9641	0.191	26	107.9641	0.037	26	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CNiHH)(CCFF)(H)2	H(CCCH)	H(CCCH)	C(CNiHH)(CCFF)(H)2	H(CCCH)	H(CCCH)	108.6290	0.000	1	108.6290	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CNiHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CNiHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6005	0.048	4	107.6005	0.002	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CNiHH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CNiHH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7390	0.000	1	107.7390	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CNiOO)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CNiOO)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.1740	0.000	1	107.1740	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CNpOO)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CNpOO)(CH3)(H)2	H(CCCH)	H(CCCH)	107.4905	0.326	4	107.4905	0.106	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(COOU)(CH3)(H)2	H(CCCH)	H(CCCH)	C(COOU)(CH3)(H)2	H(CCCH)	H(CCCH)	107.5097	0.269	4	107.5097	0.072	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CO[4]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CO[4]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.9770	0.000	1	107.9770	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CO[5]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CO[5]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.4880	0.000	1	108.4880	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(COsCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(COsCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4258	1.116	40	107.4258	1.245	40	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(COsCH)(CHHP)(H)2	H(CCCH)	H(CCCH)	C(COsCH)(CHHP)(H)2	H(CCCH)	H(CCCH)	107.9990	0.055	3	107.9990	0.003	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(COsHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(COsHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4810	0.000	1	107.4810	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(COsHH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(COsHH)(CHHN)(H)2	H(CCCH)	H(CCCH)	105.8990	3.957	2	105.8990	15.658	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CP[5]CH)(CP[5]HH)(H)2	H(CCCH)	H(CCCH)	C(CP[5]CH)(CP[5]HH)(H)2	H(CCCH)	H(CCCH)	107.4750	0.000	1	107.4750	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CP[5]CH)2(H)2	H(CCCH)	H(CCCH)	C(CP[5]CH)2(H)2	H(CCCH)	H(CCCH)	107.0615	0.232	4	107.0615	0.054	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CP[5]HH)(CBHH)(H)2	H(CCCH)	H(CCCH)	C(CP[5]HH)(CBHH)(H)2	H(CCCH)	H(CCCH)	108.2700	0.000	1	108.2700	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CP[5]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CP[5]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.8737	0.266	15	107.8737	0.071	15	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CP[5]HH)(CCHN)(H)2	H(CCCH)	H(CCCH)	C(CP[5]HH)(CCHN)(H)2	H(CCCH)	H(CCCH)	109.6900	0.000	1	109.6900	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CP[5]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CP[5]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8320	0.000	1	107.8320	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CP[5]HH)2(H)2	H(CCCH)	H(CCCH)	C(CP[5]HH)2(H)2	H(CCCH)	H(CCCH)	107.8715	0.071	2	107.8715	0.005	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CP[6,6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CP[6,6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.8630	0.000	1	107.8630	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CP[6,6]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CP[6,6]HH)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.5670	0.000	1	107.5670	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CP[6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CP[6]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4140	0.000	1	107.4140	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CP[6]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CP[6]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.9040	0.000	1	107.9040	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CP[6]HH)2(H)2	H(CCCH)	H(CCCH)	C(CP[6]HH)2(H)2	H(CCCH)	H(CCCH)	107.8910	0.000	1	107.8910	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CPdCC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CPdCC)(CH3)(H)2	H(CCCH)	H(CCCH)	108.2940	1.504	6	108.2940	2.263	6	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CPdCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CPdCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4129	1.004	50	107.4129	1.007	50	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CPdCH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CPdCH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.9753	0.263	3	107.9753	0.069	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CPdCH)(CHHP)(H)2	H(CCCH)	H(CCCH)	C(CPdCH)(CHHP)(H)2	H(CCCH)	H(CCCH)	108.0344	0.190	7	108.0344	0.036	7	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CPdCH)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CPdCH)(CHHS)(H)2	H(CCCH)	H(CCCH)	108.1360	0.000	1	108.1360	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CPdCH)2(H)2	H(CCCH)	H(CCCH)	C(CPdCH)2(H)2	H(CCCH)	H(CCCH)	106.9365	0.144	2	106.9365	0.021	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CPdCO)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CPdCO)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.8740	0.000	1	107.8740	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CPtCC)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CPtCC)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.7625	0.103	2	107.7625	0.011	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CPtCC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CPtCC)(CH3)(H)2	H(CCCH)	H(CCCH)	107.4370	0.000	1	107.4370	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CPtCH)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CPtCH)(CC3)(H)2	H(CCCH)	H(CCCH)	107.8112	0.247	5	107.8112	0.061	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CPtCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CPtCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.7073	0.626	201	107.7073	0.392	201	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CPtCH)(CHHP)(H)2	H(CCCH)	H(CCCH)	C(CPtCH)(CHHP)(H)2	H(CCCH)	H(CCCH)	108.0630	0.000	1	108.0630	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CPtHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CPtHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.9900	0.350	6	107.9900	0.123	6	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CPtHP)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CPtHP)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.7760	0.000	1	107.7760	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CPuOO)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CPuOO)(CH3)(H)2	H(CCCH)	H(CCCH)	107.4748	0.291	4	107.4748	0.085	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CReHH)(CCHS)(H)2	H(CCCH)	H(CCCH)	C(CReHH)(CCHS)(H)2	H(CCCH)	H(CCCH)	108.0890	0.000	1	108.0890	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CRh2C)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CRh2C)(CCHH)(H)2	H(CCCH)	H(CCCH)	106.8480	0.000	1	106.8480	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CRhBC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CRhBC)(CH3)(H)2	H(CCCH)	H(CCCH)	107.9660	0.198	2	107.9660	0.039	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CRhCC)(CCCH)(H)2	H(CCCH)	H(CCCH)	C(CRhCC)(CCCH)(H)2	H(CCCH)	H(CCCH)	107.8320	0.000	1	107.8320	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CRhCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CRhCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6817	1.207	1476	107.6817	1.456	1476	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CRhCH)(CCHO)(H)2	H(CCCH)	H(CCCH)	C(CRhCH)(CCHO)(H)2	H(CCCH)	H(CCCH)	104.9595	4.000	2	104.9595	16.001	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CRhCH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CRhCH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.5995	0.019	2	107.5995	0.000	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CRhCH)(CHHP)(H)2	H(CCCH)	H(CCCH)	C(CRhCH)(CHHP)(H)2	H(CCCH)	H(CCCH)	109.4900	0.042	2	109.4900	0.002	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CRhHH)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CRhHH)(CC3)(H)2	H(CCCH)	H(CCCH)	107.0330	0.000	1	107.0330	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CRhHH)(CCCF)(H)2	H(CCCH)	H(CCCH)	C(CRhHH)(CCCF)(H)2	H(CCCH)	H(CCCH)	107.3780	0.000	1	107.3780	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CRhHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CRhHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.9460	0.000	1	107.9460	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CRhHH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CRhHH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.9410	0.000	1	107.9410	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CRhHH)(CHHP)(H)2	H(CCCH)	H(CCCH)	C(CRhHH)(CHHP)(H)2	H(CCCH)	H(CCCH)	108.0200	0.000	1	108.0200	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CRhHS)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CRhHS)(CHHN)(H)2	H(CCCH)	H(CCCH)	116.4830	0.000	1	116.4830	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CRhHS)(CHHP)(H)2	H(CCCH)	H(CCCH)	C(CRhHS)(CHHP)(H)2	H(CCCH)	H(CCCH)	108.9280	0.000	1	108.9280	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CRu2C)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CRu2C)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.8540	0.000	1	107.8540	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CRu2C)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CRu2C)(CH3)(H)2	H(CCCH)	H(CCCH)	107.9600	0.042	2	107.9600	0.002	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CRuCC)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CRuCC)(CCHH)(H)2	H(CCCH)	H(CCCH)	106.8373	1.184	3	106.8373	1.403	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CRuCC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CRuCC)(CH3)(H)2	H(CCCH)	H(CCCH)	107.6730	0.400	2	107.6730	0.160	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CRuCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CRuCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.3326	3.785	208	107.3326	14.329	208	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CRuCH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CRuCH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.9762	0.361	6	107.9762	0.130	6	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CRuCH)(CHHP)(H)2	H(CCCH)	H(CCCH)	C(CRuCH)(CHHP)(H)2	H(CCCH)	H(CCCH)	108.4563	0.875	3	108.4563	0.765	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CRuOO)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CRuOO)(CH3)(H)2	H(CCCH)	H(CCCH)	107.9920	0.000	1	107.9920	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CS[5]HH)(CCHN)(H)2	H(CCCH)	H(CCCH)	C(CS[5]HH)(CCHN)(H)2	H(CCCH)	H(CCCH)	102.5030	0.000	1	102.5030	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CScNN)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CScNN)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.9460	0.212	5	107.9460	0.045	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSeCH)(CF3)(H)2	H(CCCH)	H(CCCH)	C(CSeCH)(CF3)(H)2	H(CCCH)	H(CCCH)	107.6225	0.250	2	107.6225	0.062	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSeCH)(CSeHH)(H)2	H(CCCH)	H(CCCH)	C(CSeCH)(CSeHH)(H)2	H(CCCH)	H(CCCH)	106.4665	1.121	2	106.4665	1.256	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSeHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CSeHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.5405	0.989	14	107.5405	0.979	14	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSeHH)(CCHN)(H)2	H(CCCH)	H(CCCH)	C(CSeHH)(CCHN)(H)2	H(CCCH)	H(CCCH)	108.7400	1.752	2	108.7400	3.070	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSeHH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CSeHH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.3410	0.000	1	107.3410	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSeHH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CSeHH)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.5285	0.203	4	107.5285	0.041	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSeHH)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CSeHH)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.6215	0.145	2	107.6215	0.021	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSeHH)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CSeHH)(CHHS)(H)2	H(CCCH)	H(CCCH)	107.6937	0.173	7	107.6937	0.030	7	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSeHH)2(H)2	H(CCCH)	H(CCCH)	C(CSeHH)2(H)2	H(CCCH)	H(CCCH)	107.7784	0.914	36	107.7784	0.835	36	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSi2Sn)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CSi2Sn)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.5630	1.802	3	108.5630	3.248	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSiCC)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CSiCC)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.2110	0.052	2	107.2110	0.003	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSiCO)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CSiCO)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4080	0.000	1	107.4080	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSiFF)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CSiFF)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.7910	0.000	1	107.7910	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSiHH)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CSiHH)(CC3)(H)2	H(CCCH)	H(CCCH)	107.2898	0.131	13	107.2898	0.017	13	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSiHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CSiHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6784	0.494	38	107.6784	0.244	38	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSiHH)(CF3)(H)2	H(CCCH)	H(CCCH)	C(CSiHH)(CF3)(H)2	H(CCCH)	H(CCCH)	107.6466	0.158	5	107.6466	0.025	5	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSiHH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CSiHH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7380	0.176	14	107.7380	0.031	14	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSiHH)(CHHI)(H)2	H(CCCH)	H(CCCH)	C(CSiHH)(CHHI)(H)2	H(CCCH)	H(CCCH)	107.9910	0.352	3	107.9910	0.124	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSiHH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CSiHH)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.4560	0.609	11	107.4560	0.370	11	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSiHH)(CHHO)(H)2	H(CCCH)	H(CCCH)	C(CSiHH)(CHHO)(H)2	H(CCCH)	H(CCCH)	107.9720	0.201	2	107.9720	0.040	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSiHH)(CHHP)(H)2	H(CCCH)	H(CCCH)	C(CSiHH)(CHHP)(H)2	H(CCCH)	H(CCCH)	107.7227	0.203	13	107.7227	0.041	13	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSiHH)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CSiHH)(CHHS)(H)2	H(CCCH)	H(CCCH)	107.7284	0.169	12	107.7284	0.028	12	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSiHN)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CSiHN)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6645	0.196	2	107.6645	0.038	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSiHP)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CSiHP)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6380	0.000	1	107.6380	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSi[4a]Si2)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CSi[4a]Si2)(CC3)(H)2	H(CCCH)	H(CCCH)	106.3987	0.100	3	106.3987	0.010	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSi[5,5,6]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CSi[5,5,6]HH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7945	0.083	2	107.7945	0.007	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSi[5]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CSi[5]HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4375	0.012	2	107.4375	0.000	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSmNN)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CSmNN)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.0470	0.000	1	108.0470	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSmOO)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CSmOO)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8265	0.366	2	107.8265	0.134	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSnCC)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CSnCC)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.5425	0.084	2	107.5425	0.007	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSnCH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CSnCH)(CH3)(H)2	H(CCCH)	H(CCCH)	108.6780	1.143	2	108.6780	1.306	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSnHH)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CSnHH)(CC3)(H)2	H(CCCH)	H(CCCH)	107.4185	0.013	2	107.4185	0.000	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSnHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CSnHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6110	0.840	95	107.6110	0.705	95	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSnHH)(CF3)(H)2	H(CCCH)	H(CCCH)	C(CSnHH)(CF3)(H)2	H(CCCH)	H(CCCH)	107.5780	0.000	1	107.5780	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSnHH)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CSnHH)(CHHN)(H)2	H(CCCH)	H(CCCH)	108.4747	0.914	3	108.4747	0.836	3	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSnHH)2(H)2	H(CCCH)	H(CCCH)	C(CSnHH)2(H)2	H(CCCH)	H(CCCH)	107.5140	0.192	2	107.5140	0.037	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CSnNN)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CSnNN)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.7470	0.157	10	107.7470	0.025	10	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CTa2C)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CTa2C)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8757	0.262	4	107.8757	0.069	4	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CTaCC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CTaCC)(CH3)(H)2	H(CCCH)	H(CCCH)	108.0450	0.000	1	108.0450	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CTaCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CTaCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.9625	0.023	2	107.9625	0.001	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CTaHH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CTaHH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8210	0.000	1	107.8210	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CTeHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CTeHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.1730	0.000	1	108.1730	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CTeHH)(CHHS)(H)2	H(CCCH)	H(CCCH)	C(CTeHH)(CHHS)(H)2	H(CCCH)	H(CCCH)	109.4605	0.036	2	109.4605	0.001	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CTeHH)2(H)2	H(CCCH)	H(CCCH)	C(CTeHH)2(H)2	H(CCCH)	H(CCCH)	107.7363	0.247	9	107.7363	0.061	9	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CTiNN)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CTiNN)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.9850	0.000	1	107.9850	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CZnCH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CZnCH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.7537	0.242	9	107.7537	0.058	9	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CZnHH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CZnHH)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8420	0.000	1	107.8420	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CZrCC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CZrCC)(CH3)(H)2	H(CCCH)	H(CCCH)	107.4850	0.000	1	107.4850	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CZrHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CZrHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	109.4940	0.048	2	109.4940	0.002	2	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	C-4:	C-4:	C(CZrNN)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CZrNN)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.0110	0.000	1	108.0110	0.000	1	107.6933	2.027	43683	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(CB[6a]B[5]H)(C[5]C[5]2H)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(CB[6a]B[5]H)(C[5]C[5]2H)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7173	0.070	3	107.7173	0.005	3	107.6377	0.168	9	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(CC[5,5,6]HH)(C[5]C[5]2C)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(CC[5,5,6]HH)(C[5]C[5]2C)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.1630	0.000	1	107.1630	0.000	1	107.6377	0.168	9	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(CC[5]C[6]H)(C[5]O[5]2H)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(CC[5]C[6]H)(C[5]O[5]2H)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7870	0.000	1	107.7870	0.000	1	107.6377	0.168	9	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5]H)(C[5]C[5]2Fe)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(CC[6a]C[5]H)(C[5]C[5]2Fe)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0620	0.000	1	108.0620	0.000	1	107.6377	0.168	9	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[5]C)(C[5]C[5]2Rh)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(CC[6a]N[5]C)(C[5]C[5]2Rh)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.8090	0.000	1	106.8090	0.000	1	107.6377	0.168	9	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[5]H)(C[5]C[5]2Fe)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(CC[6a]N[5]H)(C[5]C[5]2Fe)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0870	0.000	1	108.0870	0.000	1	107.6377	0.168	9	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[5]H)(C[5]C[5]2Mo)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(CC[6a]N[5]H)(C[5]C[5]2Mo)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6790	0.000	1	107.6790	0.000	1	107.6377	0.168	9	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]C[6a]H)(C[6]C[6]2H)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(CC[5a]C[6a]H)(C[6]C[6]2H)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.8897	0.176	3	106.8897	0.031	3	107.0147	0.083	4	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]N[5a]H)(C[6]C[6]2H)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(CC[5a]N[5a]H)(C[6]C[6]2H)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3900	0.000	1	107.3900	0.000	1	107.0147	0.083	4	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Ge-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(GeC3)(H)2	H(CGeCH)	H(CGeCH)	C(CCHH)(GeC3)(H)2	H(CGeCH)	H(CGeCH)	107.3790	0.057	2	107.3790	0.003	2	107.4575	0.050	4	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Ge-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(GeCl2C)(H)2	H(CGeCH)	H(CGeCH)	C(CC[6a]HH)(GeCl2C)(H)2	H(CGeCH)	H(CGeCH)	107.5360	0.351	2	107.5360	0.123	2	107.4575	0.050	4	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CBHH)(NC3)(H)2	H(CCHN)	H(CCHN)	C(CBHH)(NC3)(H)2	H(CCHN)	H(CCHN)	107.3910	0.150	2	107.3910	0.022	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CBrCH)(NFeHH)(H)2	H(CCHN)	H(CCHN)	C(CBrCH)(NFeHH)(H)2	H(CCHN)	H(CCHN)	107.6840	0.000	1	107.6840	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CBrHH)(NBHO)(H)2	H(CCHN)	H(CCHN)	C(CBrHH)(NBHO)(H)2	H(CCHN)	H(CCHN)	107.4210	0.000	1	107.4210	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CBrHH)(NC3)(H)2	H(CCHN)	H(CCHN)	C(CBrHH)(NC3)(H)2	H(CCHN)	H(CCHN)	107.4357	0.494	4	107.4357	0.244	4	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CBrHH)(NCHH)(H)2	H(CCHN)	H(CCHN)	C(CBrHH)(NCHH)(H)2	H(CCHN)	H(CCHN)	108.3456	0.581	9	108.3456	0.337	9	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CBrHH)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CBrHH)(NH3)(H)2	H(CCHN)	H(CCHN)	108.0637	0.342	3	108.0637	0.117	3	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC3)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CC3)(NH3)(H)2	H(CCHN)	H(CCHN)	107.1913	1.286	7	107.1913	1.653	7	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCCH)(NCCH)(H)2	H(CCHN)	H(CCHN)	C(CCCH)(NCCH)(H)2	H(CCHN)	H(CCHN)	107.5772	0.093	15	107.5772	0.009	15	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCCH)(NCHH)(H)2	H(CCHN)	H(CCHN)	C(CCCH)(NCHH)(H)2	H(CCHN)	H(CCHN)	107.6801	0.121	12	107.6801	0.015	12	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCCH)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CCCH)(NH3)(H)2	H(CCHN)	H(CCHN)	107.8228	0.554	34	107.8228	0.306	34	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCCN)(NCHH)(H)2	H(CCHN)	H(CCHN)	C(CCCN)(NCHH)(H)2	H(CCHN)	H(CCHN)	107.6920	1.149	6	107.6920	1.320	6	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCCN)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CCCN)(NH3)(H)2	H(CCHN)	H(CCHN)	107.7190	0.000	1	107.7190	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCCO)(NCCH)(H)2	H(CCHN)	H(CCHN)	C(CCCO)(NCCH)(H)2	H(CCHN)	H(CCHN)	107.7970	0.000	1	107.7970	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCCS)(NCCH)(H)2	H(CCHN)	H(CCHN)	C(CCCS)(NCCH)(H)2	H(CCHN)	H(CCHN)	106.0940	0.000	1	106.0940	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCFF)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CCFF)(NH3)(H)2	H(CCHN)	H(CCHN)	107.9950	0.000	1	107.9950	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCFH)(NCHH)(H)2	H(CCHN)	H(CCHN)	C(CCFH)(NCHH)(H)2	H(CCHN)	H(CCHN)	107.6390	0.000	1	107.6390	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(NBCC)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NBCC)(H)2	H(CCHN)	H(CCHN)	106.2240	0.864	3	106.2240	0.746	3	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(NBHH)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NBHH)(H)2	H(CCHN)	H(CCHN)	107.7110	0.000	1	107.7110	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(NC3)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NC3)(H)2	H(CCHN)	H(CCHN)	107.5312	1.206	3386	107.5312	1.454	3386	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(NCCD)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NCCD)(H)2	H(CCHN)	H(CCHN)	107.6615	0.056	2	107.6615	0.003	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(NCCH)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NCCH)(H)2	H(CCHN)	H(CCHN)	107.7085	0.900	156	107.7085	0.810	156	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(NCCS)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NCCS)(H)2	H(CCHN)	H(CCHN)	107.4110	0.000	1	107.4110	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(NCHH)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NCHH)(H)2	H(CCHN)	H(CCHN)	107.9460	0.900	227	107.9460	0.811	227	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(ND3)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(ND3)(H)2	H(CCHN)	H(CCHN)	108.0355	0.213	2	108.0355	0.045	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NH3)(H)2	H(CCHN)	H(CCHN)	108.1440	1.604	708	108.1440	2.574	708	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(NHHO)(H)2	H(CCHN)	H(CCHN)	C(CCHH)(NHHO)(H)2	H(CCHN)	H(CCHN)	108.1315	0.299	2	108.1315	0.089	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCHN)(NC3)(H)2	H(CCHN)	H(CCHN)	C(CCHN)(NC3)(H)2	H(CCHN)	H(CCHN)	107.4380	0.000	1	107.4380	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCHN)(NCCH)(H)2	H(CCHN)	H(CCHN)	C(CCHN)(NCCH)(H)2	H(CCHN)	H(CCHN)	107.7368	0.331	5	107.7368	0.110	5	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCHN)(NCCV)(H)2	H(CCHN)	H(CCHN)	C(CCHN)(NCCV)(H)2	H(CCHN)	H(CCHN)	107.9330	0.000	1	107.9330	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCHN)(NCHH)(H)2	H(CCHN)	H(CCHN)	C(CCHN)(NCHH)(H)2	H(CCHN)	H(CCHN)	109.2017	1.229	9	109.2017	1.510	9	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCHN)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CCHN)(NH3)(H)2	H(CCHN)	H(CCHN)	108.0447	0.695	31	108.0447	0.483	31	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCHN)(NHHV)(H)2	H(CCHN)	H(CCHN)	C(CCHN)(NHHV)(H)2	H(CCHN)	H(CCHN)	107.9710	0.639	2	107.9710	0.409	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCHO)(NC3)(H)2	H(CCHN)	H(CCHN)	C(CCHO)(NC3)(H)2	H(CCHN)	H(CCHN)	107.4293	2.138	14	107.4293	4.569	14	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCHO)(NCCH)(H)2	H(CCHN)	H(CCHN)	C(CCHO)(NCCH)(H)2	H(CCHN)	H(CCHN)	108.3942	1.036	4	108.3942	1.074	4	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCHO)(NCHH)(H)2	H(CCHN)	H(CCHN)	C(CCHO)(NCHH)(H)2	H(CCHN)	H(CCHN)	107.9122	0.255	13	107.9122	0.065	13	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCHO)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CCHO)(NH3)(H)2	H(CCHN)	H(CCHN)	108.0653	1.906	12	108.0653	3.631	12	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[3x3,3x5,12x6]HH)(NAlCC)(H)2	H(CCHN)	H(CCHN)	C(CC[3x3,3x5,12x6]HH)(NAlCC)(H)2	H(CCHN)	H(CCHN)	107.5070	0.000	1	107.5070	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[4]CH)(NC3)(H)2	H(CCHN)	H(CCHN)	C(CC[4]CH)(NC3)(H)2	H(CCHN)	H(CCHN)	107.5500	0.000	1	107.5500	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[4]HH)(NCHH)(H)2	H(CCHN)	H(CCHN)	C(CC[4]HH)(NCHH)(H)2	H(CCHN)	H(CCHN)	107.8690	0.000	1	107.8690	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[5]CO)(NCCH)(H)2	H(CCHN)	H(CCHN)	C(CC[5]CO)(NCCH)(H)2	H(CCHN)	H(CCHN)	110.1925	0.484	2	110.1925	0.235	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NBaCC)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NBaCC)(H)2	H(CCHN)	H(CCHN)	107.6830	0.000	1	107.6830	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NC3)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NC3)(H)2	H(CCHN)	H(CCHN)	107.5033	0.109	4	107.5033	0.012	4	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NCCV)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NCCV)(H)2	H(CCHN)	H(CCHN)	107.9910	0.000	1	107.9910	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NCHH)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NCHH)(H)2	H(CCHN)	H(CCHN)	108.0050	0.264	2	108.0050	0.070	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NCoHH)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NCoHH)(H)2	H(CCHN)	H(CCHN)	107.9830	0.059	2	107.9830	0.004	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NCuCC)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NCuCC)(H)2	H(CCHN)	H(CCHN)	107.6160	0.096	11	107.6160	0.009	11	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NCuHH)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NCuHH)(H)2	H(CCHN)	H(CCHN)	108.0710	0.140	3	108.0710	0.020	3	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NEuCC)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NEuCC)(H)2	H(CCHN)	H(CCHN)	107.6520	0.000	1	107.6520	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NH3)(H)2	H(CCHN)	H(CCHN)	107.9933	0.578	16	107.9933	0.334	16	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NOsCH)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NOsCH)(H)2	H(CCHN)	H(CCHN)	108.0400	0.000	1	108.0400	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NPtHH)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NPtHH)(H)2	H(CCHN)	H(CCHN)	108.1430	0.000	1	108.1430	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NRhCC)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NRhCC)(H)2	H(CCHN)	H(CCHN)	108.8457	0.881	3	108.8457	0.775	3	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NRhHH)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NRhHH)(H)2	H(CCHN)	H(CCHN)	109.4905	0.088	2	109.4905	0.008	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NSn2C)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NSn2C)(H)2	H(CCHN)	H(CCHN)	107.6495	0.030	2	107.6495	0.001	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NTiCC)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NTiCC)(H)2	H(CCHN)	H(CCHN)	110.1450	0.000	1	110.1450	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(NZnCC)(H)2	H(CCHN)	H(CCHN)	C(CC[5]HH)(NZnCC)(H)2	H(CCHN)	H(CCHN)	107.7247	0.124	6	107.7247	0.015	6	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(NC3)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]HH)(NC3)(H)2	H(CCHN)	H(CCHN)	107.5610	0.129	6	107.5610	0.017	6	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(NCCH)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]HH)(NCCH)(H)2	H(CCHN)	H(CCHN)	107.7357	0.105	14	107.7357	0.011	14	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(NCHH)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]HH)(NCHH)(H)2	H(CCHN)	H(CCHN)	108.1400	0.000	1	108.1400	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(NFeCC)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]HH)(NFeCC)(H)2	H(CCHN)	H(CCHN)	107.4730	0.000	1	107.4730	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]HH)(NH3)(H)2	H(CCHN)	H(CCHN)	108.7178	1.013	18	108.7178	1.027	18	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(NPdCC)(H)2	H(CCHN)	H(CCHN)	C(CC[5a]HH)(NPdCC)(H)2	H(CCHN)	H(CCHN)	107.8245	2.517	6	107.8245	6.335	6	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[5x3,5x5,20x6]HH)(NC3)(H)2	H(CCHN)	H(CCHN)	C(CC[5x3,5x5,20x6]HH)(NC3)(H)2	H(CCHN)	H(CCHN)	107.3560	0.000	1	107.3560	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6]CC)(NCuCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6]CC)(NCuCH)(H)2	H(CCHN)	H(CCHN)	107.6500	0.143	3	107.6500	0.020	3	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6]CC)(NFeCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6]CC)(NFeCC)(H)2	H(CCHN)	H(CCHN)	107.4600	0.222	3	107.4600	0.049	3	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6]CC)(NFeCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6]CC)(NFeCH)(H)2	H(CCHN)	H(CCHN)	107.5640	0.000	1	107.5640	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6]CC)(NFeHH)(H)2	H(CCHN)	H(CCHN)	C(CC[6]CC)(NFeHH)(H)2	H(CCHN)	H(CCHN)	107.7060	0.066	4	107.7060	0.004	4	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6]CH)(NCuCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6]CH)(NCuCC)(H)2	H(CCHN)	H(CCHN)	108.4340	5.645	4	108.4340	31.870	4	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NCCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NCCH)(H)2	H(CCHN)	H(CCHN)	108.1510	0.000	1	108.1510	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NCHH)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NCHH)(H)2	H(CCHN)	H(CCHN)	108.5286	0.874	5	108.5286	0.764	5	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NCoCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NCoCC)(H)2	H(CCHN)	H(CCHN)	107.6842	0.115	10	107.6842	0.013	10	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NCoCO)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NCoCO)(H)2	H(CCHN)	H(CCHN)	107.6140	0.006	2	107.6140	0.000	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NCrCO)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NCrCO)(H)2	H(CCHN)	H(CCHN)	106.8785	0.960	2	106.8785	0.921	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NCuCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NCuCC)(H)2	H(CCHN)	H(CCHN)	106.9986	4.173	40	106.9986	17.413	40	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NCuCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NCuCH)(H)2	H(CCHN)	H(CCHN)	107.7428	0.191	4	107.7428	0.036	4	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NFeCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NFeCC)(H)2	H(CCHN)	H(CCHN)	107.6008	0.199	4	107.6008	0.040	4	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NFeCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NFeCH)(H)2	H(CCHN)	H(CCHN)	108.2930	0.232	2	108.2930	0.054	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NH3)(H)2	H(CCHN)	H(CCHN)	108.0514	0.158	7	108.0514	0.025	7	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NMnCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NMnCH)(H)2	H(CCHN)	H(CCHN)	107.8380	0.000	1	107.8380	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NNiCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NNiCC)(H)2	H(CCHN)	H(CCHN)	108.0144	1.687	28	108.0144	2.847	28	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NNiCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NNiCH)(H)2	H(CCHN)	H(CCHN)	107.8733	0.016	3	107.8733	0.000	3	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NPtCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NPtCH)(H)2	H(CCHN)	H(CCHN)	108.0290	0.000	1	108.0290	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NReHH)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NReHH)(H)2	H(CCHN)	H(CCHN)	107.9970	0.000	1	107.9970	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NRuCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NRuCC)(H)2	H(CCHN)	H(CCHN)	107.5657	0.187	13	107.5657	0.035	13	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NZnCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NZnCC)(H)2	H(CCHN)	H(CCHN)	107.6622	3.202	6	107.6622	10.255	6	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(NZnCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HH)(NZnCH)(H)2	H(CCHN)	H(CCHN)	107.9455	0.045	2	107.9455	0.002	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HO)(NCHH)(H)2	H(CCHN)	H(CCHN)	C(CC[6]HO)(NCHH)(H)2	H(CCHN)	H(CCHN)	107.5913	1.108	6	107.5913	1.227	6	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2H)(NCuHH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]2H)(NCuHH)(H)2	H(CCHN)	H(CCHN)	109.3700	0.000	1	109.3700	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2O)(NFeCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]2O)(NFeCC)(H)2	H(CCHN)	H(CCHN)	107.9730	0.000	1	107.9730	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(NCCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CC)(NCCH)(H)2	H(CCHN)	H(CCHN)	106.9625	0.202	2	106.9625	0.041	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(NCuCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CC)(NCuCC)(H)2	H(CCHN)	H(CCHN)	106.9070	0.000	1	106.9070	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(NCuCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CC)(NCuCH)(H)2	H(CCHN)	H(CCHN)	107.5680	0.000	1	107.5680	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(NCCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CH)(NCCH)(H)2	H(CCHN)	H(CCHN)	111.0990	0.000	1	111.0990	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(NC[6a]HH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CH)(NC[6a]HH)(H)2	H(CCHN)	H(CCHN)	107.5830	0.000	1	107.5830	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CH)(NH3)(H)2	H(CCHN)	H(CCHN)	107.8467	0.114	20	107.8467	0.013	20	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(NCHH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]CO)(NCHH)(H)2	H(CCHN)	H(CCHN)	107.9430	0.000	1	107.9430	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5]H)(NO3)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]C[5]H)(NO3)(H)2	H(CCHN)	H(CCHN)	108.2480	0.000	1	108.2480	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]H)(NCCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]C[6]H)(NCCH)(H)2	H(CCHN)	H(CCHN)	108.1583	1.139	3	108.1583	1.296	3	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]H)(NMgCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]C[6]H)(NMgCC)(H)2	H(CCHN)	H(CCHN)	107.1870	0.000	1	107.1870	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NBiCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NBiCC)(H)2	H(CCHN)	H(CCHN)	107.4223	0.114	6	107.4223	0.013	6	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NC3)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NC3)(H)2	H(CCHN)	H(CCHN)	107.5213	0.054	3	107.5213	0.003	3	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NCCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NCCH)(H)2	H(CCHN)	H(CCHN)	107.4037	0.580	3	107.4037	0.336	3	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NCHH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NCHH)(H)2	H(CCHN)	H(CCHN)	110.5152	5.467	8	110.5152	29.886	8	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NCaCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NCaCC)(H)2	H(CCHN)	H(CCHN)	107.2920	0.000	1	107.2920	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NCdHH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NCdHH)(H)2	H(CCHN)	H(CCHN)	113.3843	9.601	3	113.3843	92.178	3	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NCuCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NCuCC)(H)2	H(CCHN)	H(CCHN)	109.4193	0.065	6	109.4193	0.004	6	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NCuHH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NCuHH)(H)2	H(CCHN)	H(CCHN)	107.6478	0.291	4	107.6478	0.085	4	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NH3)(H)2	H(CCHN)	H(CCHN)	108.1016	0.624	120	108.1016	0.389	120	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NIrHH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NIrHH)(H)2	H(CCHN)	H(CCHN)	108.3190	0.000	1	108.3190	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NMnCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NMnCH)(H)2	H(CCHN)	H(CCHN)	107.5930	0.000	1	107.5930	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NNiCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NNiCC)(H)2	H(CCHN)	H(CCHN)	106.9730	0.000	1	106.9730	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NPdCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NPdCC)(H)2	H(CCHN)	H(CCHN)	108.4960	1.325	2	108.4960	1.756	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NPdCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NPdCH)(H)2	H(CCHN)	H(CCHN)	107.8960	0.270	2	107.8960	0.073	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NPdHH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NPdHH)(H)2	H(CCHN)	H(CCHN)	108.0007	0.143	10	108.0007	0.020	10	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NPtCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NPtCC)(H)2	H(CCHN)	H(CCHN)	107.7220	0.000	1	107.7220	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(NZnHH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HH)(NZnHH)(H)2	H(CCHN)	H(CCHN)	108.0440	0.000	1	108.0440	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(NCHH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HN)(NCHH)(H)2	H(CCHN)	H(CCHN)	107.6720	0.006	2	107.6720	0.000	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(NRuCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HN)(NRuCC)(H)2	H(CCHN)	H(CCHN)	108.0990	0.000	1	108.0990	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(NCHH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HO)(NCHH)(H)2	H(CCHN)	H(CCHN)	108.4828	1.450	27	108.4828	2.102	27	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(NCoCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HO)(NCoCC)(H)2	H(CCHN)	H(CCHN)	108.8655	0.459	2	108.8655	0.211	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HO)(NH3)(H)2	H(CCHN)	H(CCHN)	108.0081	0.052	7	108.0081	0.003	7	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(NMoCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HO)(NMoCH)(H)2	H(CCHN)	H(CCHN)	108.6570	0.000	1	108.6570	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(NNiCC)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]HO)(NNiCC)(H)2	H(CCHN)	H(CCHN)	108.7760	0.724	2	108.7760	0.524	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[5]H)(NNiCH)(H)2	H(CCHN)	H(CCHN)	C(CC[6a]N[5]H)(NNiCH)(H)2	H(CCHN)	H(CCHN)	107.9240	0.303	2	107.9240	0.092	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CClCC)(NCoCH)(H)2	H(CCHN)	H(CCHN)	C(CClCC)(NCoCH)(H)2	H(CCHN)	H(CCHN)	107.0062	12.339	2	107.0062	152.244	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CClHH)(NBHO)(H)2	H(CCHN)	H(CCHN)	C(CClHH)(NBHO)(H)2	H(CCHN)	H(CCHN)	107.5180	0.034	2	107.5180	0.001	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CClHH)(NC3)(H)2	H(CCHN)	H(CCHN)	C(CClHH)(NC3)(H)2	H(CCHN)	H(CCHN)	107.5452	0.299	9	107.5452	0.089	9	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CClHH)(NCCH)(H)2	H(CCHN)	H(CCHN)	C(CClHH)(NCCH)(H)2	H(CCHN)	H(CCHN)	107.9090	0.000	1	107.9090	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CClHH)(NCCN)(H)2	H(CCHN)	H(CCHN)	C(CClHH)(NCCN)(H)2	H(CCHN)	H(CCHN)	107.4670	0.000	1	107.4670	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CClHH)(NCHH)(H)2	H(CCHN)	H(CCHN)	C(CClHH)(NCHH)(H)2	H(CCHN)	H(CCHN)	108.0620	0.000	1	108.0620	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CClHH)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CClHH)(NH3)(H)2	H(CCHN)	H(CCHN)	108.0720	0.000	1	108.0720	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CClHH)(NPtCC)(H)2	H(CCHN)	H(CCHN)	C(CClHH)(NPtCC)(H)2	H(CCHN)	H(CCHN)	107.5962	0.071	4	107.5962	0.005	4	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CCuCH)(NCCH)(H)2	H(CCHN)	H(CCHN)	C(CCuCH)(NCCH)(H)2	H(CCHN)	H(CCHN)	107.8270	0.000	1	107.8270	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CF3)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CF3)(NH3)(H)2	H(CCHN)	H(CCHN)	107.7580	0.000	1	107.7580	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CFFH)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CFFH)(NH3)(H)2	H(CCHN)	H(CCHN)	107.8550	0.180	2	107.8550	0.032	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CFHH)(NC3)(H)2	H(CCHN)	H(CCHN)	C(CFHH)(NC3)(H)2	H(CCHN)	H(CCHN)	107.3550	0.000	1	107.3550	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CFHH)(NCCH)(H)2	H(CCHN)	H(CCHN)	C(CFHH)(NCCH)(H)2	H(CCHN)	H(CCHN)	107.5835	0.183	2	107.5835	0.034	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CFHH)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CFHH)(NH3)(H)2	H(CCHN)	H(CCHN)	108.2252	1.631	10	108.2252	2.660	10	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CH3)(NC3)(H)2	H(CCHN)	H(CCHN)	C(CH3)(NC3)(H)2	H(CCHN)	H(CCHN)	107.6434	0.913	3162	107.6434	0.833	3162	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CH3)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CH3)(NH3)(H)2	H(CCHN)	H(CCHN)	108.1532	1.129	101	108.1532	1.275	101	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHI)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CHHI)(NH3)(H)2	H(CCHN)	H(CCHN)	108.0005	0.115	2	108.0005	0.013	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(NBCC)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NBCC)(H)2	H(CCHN)	H(CCHN)	107.0285	0.083	2	107.0285	0.007	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(NC3)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NC3)(H)2	H(CCHN)	H(CCHN)	107.6407	1.011	31	107.6407	1.022	31	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(NCCH)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NCCH)(H)2	H(CCHN)	H(CCHN)	108.0529	1.356	365	108.0529	1.839	365	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(NCCO)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NCCO)(H)2	H(CCHN)	H(CCHN)	107.7830	0.000	1	107.7830	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(NCCV)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NCCV)(H)2	H(CCHN)	H(CCHN)	109.9413	5.326	7	109.9413	28.369	7	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(NCHH)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NCHH)(H)2	H(CCHN)	H(CCHN)	108.3564	1.666	589	108.3564	2.776	589	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(NCHO)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NCHO)(H)2	H(CCHN)	H(CCHN)	107.4190	0.000	1	107.4190	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(NCHV)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NCHV)(H)2	H(CCHN)	H(CCHN)	108.4977	0.187	3	108.4977	0.035	3	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NH3)(H)2	H(CCHN)	H(CCHN)	108.1456	1.998	645	108.1456	3.992	645	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(NHHO)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NHHO)(H)2	H(CCHN)	H(CCHN)	107.6560	0.064	2	107.6560	0.004	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(NHHV)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NHHV)(H)2	H(CCHN)	H(CCHN)	108.3017	0.280	8	108.3017	0.078	8	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(NHHW)(H)2	H(CCHN)	H(CCHN)	C(CHHN)(NHHW)(H)2	H(CCHN)	H(CCHN)	108.1997	0.202	3	108.1997	0.041	3	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHO)(NC3)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NC3)(H)2	H(CCHN)	H(CCHN)	107.8665	1.797	48	107.8665	3.230	48	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHO)(NCCH)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NCCH)(H)2	H(CCHN)	H(CCHN)	107.9580	0.566	204	107.9580	0.321	204	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHO)(NCCO)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NCCO)(H)2	H(CCHN)	H(CCHN)	107.3880	0.000	1	107.3880	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHO)(NCCW)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NCCW)(H)2	H(CCHN)	H(CCHN)	107.8780	0.000	1	107.8780	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHO)(NCHH)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NCHH)(H)2	H(CCHN)	H(CCHN)	108.1675	0.641	59	108.1675	0.411	59	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHO)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NH3)(H)2	H(CCHN)	H(CCHN)	108.0789	0.391	71	108.0789	0.153	71	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHO)(NHHN)(H)2	H(CCHN)	H(CCHN)	C(CHHO)(NHHN)(H)2	H(CCHN)	H(CCHN)	107.5370	0.000	1	107.5370	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHP)(NCCW)(H)2	H(CCHN)	H(CCHN)	C(CHHP)(NCCW)(H)2	H(CCHN)	H(CCHN)	108.0330	0.000	1	108.0330	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHP)(NCHW)(H)2	H(CCHN)	H(CCHN)	C(CHHP)(NCHW)(H)2	H(CCHN)	H(CCHN)	108.2275	0.021	2	108.2275	0.000	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHP)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CHHP)(NH3)(H)2	H(CCHN)	H(CCHN)	107.7610	0.283	2	107.7610	0.080	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHP)(NHHW)(H)2	H(CCHN)	H(CCHN)	C(CHHP)(NHHW)(H)2	H(CCHN)	H(CCHN)	108.1340	0.099	5	108.1340	0.010	5	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHS)(NBCC)(H)2	H(CCHN)	H(CCHN)	C(CHHS)(NBCC)(H)2	H(CCHN)	H(CCHN)	107.5850	0.000	1	107.5850	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHS)(NCCH)(H)2	H(CCHN)	H(CCHN)	C(CHHS)(NCCH)(H)2	H(CCHN)	H(CCHN)	107.9094	0.218	14	107.9094	0.047	14	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHS)(NCCV)(H)2	H(CCHN)	H(CCHN)	C(CHHS)(NCCV)(H)2	H(CCHN)	H(CCHN)	108.1820	1.637	8	108.1820	2.678	8	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHS)(NCHH)(H)2	H(CCHN)	H(CCHN)	C(CHHS)(NCHH)(H)2	H(CCHN)	H(CCHN)	108.1519	0.446	8	108.1519	0.199	8	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CHHS)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CHHS)(NH3)(H)2	H(CCHN)	H(CCHN)	107.9975	1.352	38	107.9975	1.827	38	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CLaOO)(NFeCC)(H)2	H(CCHN)	H(CCHN)	C(CLaOO)(NFeCC)(H)2	H(CCHN)	H(CCHN)	107.9610	0.000	1	107.9610	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[4]HH)(NCuCC)(H)2	H(CCHN)	H(CCHN)	C(CN[4]HH)(NCuCC)(H)2	H(CCHN)	H(CCHN)	108.2430	0.000	1	108.2430	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[4]HH)(NCuCH)(H)2	H(CCHN)	H(CCHN)	C(CN[4]HH)(NCuCH)(H)2	H(CCHN)	H(CCHN)	108.5723	0.216	3	108.5723	0.046	3	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[4]HH)(NCuHH)(H)2	H(CCHN)	H(CCHN)	C(CN[4]HH)(NCuHH)(H)2	H(CCHN)	H(CCHN)	108.5548	0.083	5	108.5548	0.007	5	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]2H)(NAlCrC)(H)2	H(CCHN)	H(CCHN)	C(CN[5]2H)(NAlCrC)(H)2	H(CCHN)	H(CCHN)	107.6080	0.000	1	107.6080	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]2H)(NCrCH)(H)2	H(CCHN)	H(CCHN)	C(CN[5]2H)(NCrCH)(H)2	H(CCHN)	H(CCHN)	107.7935	0.043	2	107.7935	0.002	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]2H)(NCuHH)(H)2	H(CCHN)	H(CCHN)	C(CN[5]2H)(NCuHH)(H)2	H(CCHN)	H(CCHN)	107.7220	0.011	3	107.7220	0.000	3	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]2H)(NMnCH)(H)2	H(CCHN)	H(CCHN)	C(CN[5]2H)(NMnCH)(H)2	H(CCHN)	H(CCHN)	107.6637	0.121	3	107.6637	0.015	3	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]2H)(NReHH)(H)2	H(CCHN)	H(CCHN)	C(CN[5]2H)(NReHH)(H)2	H(CCHN)	H(CCHN)	107.7200	0.000	1	107.7200	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NBCH)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NBCH)(H)2	H(CCHN)	H(CCHN)	107.8420	0.000	1	107.8420	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NBHH)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NBHH)(H)2	H(CCHN)	H(CCHN)	107.7400	0.000	1	107.7400	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NCCH)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NCCH)(H)2	H(CCHN)	H(CCHN)	107.5530	0.000	1	107.5530	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NCHH)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NCHH)(H)2	H(CCHN)	H(CCHN)	107.9927	0.131	3	107.9927	0.017	3	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NCoCC)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NCoCC)(H)2	H(CCHN)	H(CCHN)	107.6779	0.243	28	107.6779	0.059	28	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NCoCH)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NCoCH)(H)2	H(CCHN)	H(CCHN)	107.8535	0.042	2	107.8535	0.002	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NCrCC)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NCrCC)(H)2	H(CCHN)	H(CCHN)	107.1880	0.000	1	107.1880	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NCuCH)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NCuCH)(H)2	H(CCHN)	H(CCHN)	108.0281	0.206	12	108.0281	0.043	12	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NH3)(H)2	H(CCHN)	H(CCHN)	107.9400	0.160	3	107.9400	0.026	3	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NLiCH)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NLiCH)(H)2	H(CCHN)	H(CCHN)	107.8880	0.004	2	107.8880	0.000	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NMnCC)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NMnCC)(H)2	H(CCHN)	H(CCHN)	107.6770	0.177	10	107.6770	0.031	10	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NMnCH)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NMnCH)(H)2	H(CCHN)	H(CCHN)	108.0140	0.000	1	108.0140	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NNiCC)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NNiCC)(H)2	H(CCHN)	H(CCHN)	107.6832	0.172	5	107.6832	0.029	5	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NNiCH)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NNiCH)(H)2	H(CCHN)	H(CCHN)	108.0354	0.346	7	108.0354	0.120	7	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NNiHH)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NNiHH)(H)2	H(CCHN)	H(CCHN)	108.3190	0.000	1	108.3190	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NPdCC)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NPdCC)(H)2	H(CCHN)	H(CCHN)	107.8420	0.124	2	107.8420	0.015	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NPdCH)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NPdCH)(H)2	H(CCHN)	H(CCHN)	107.9199	0.105	14	107.9199	0.011	14	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NPdHH)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NPdHH)(H)2	H(CCHN)	H(CCHN)	107.7070	0.000	1	107.7070	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NPtHH)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NPtHH)(H)2	H(CCHN)	H(CCHN)	108.1970	0.000	1	108.1970	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NReCC)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NReCC)(H)2	H(CCHN)	H(CCHN)	107.5498	0.081	6	107.5498	0.007	6	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NReCH)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NReCH)(H)2	H(CCHN)	H(CCHN)	107.6432	0.239	5	107.6432	0.057	5	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NRuCH)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NRuCH)(H)2	H(CCHN)	H(CCHN)	108.0184	0.457	5	108.0184	0.209	5	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NRuHH)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NRuHH)(H)2	H(CCHN)	H(CCHN)	108.0265	0.172	2	108.0265	0.030	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NZn2C)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NZn2C)(H)2	H(CCHN)	H(CCHN)	107.7077	0.045	3	107.7077	0.002	3	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NZnCC)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NZnCC)(H)2	H(CCHN)	H(CCHN)	107.6570	0.000	1	107.6570	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NZnCH)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NZnCH)(H)2	H(CCHN)	H(CCHN)	107.9600	0.000	1	107.9600	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(NZnHH)(H)2	H(CCHN)	H(CCHN)	C(CN[5]HH)(NZnHH)(H)2	H(CCHN)	H(CCHN)	107.9140	0.000	1	107.9140	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(NCCH)(H)2	H(CCHN)	H(CCHN)	C(CN[5a]HH)(NCCH)(H)2	H(CCHN)	H(CCHN)	107.7420	0.214	2	107.7420	0.046	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(NCHH)(H)2	H(CCHN)	H(CCHN)	C(CN[5a]HH)(NCHH)(H)2	H(CCHN)	H(CCHN)	111.9010	0.000	1	111.9010	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CN[5a]HH)(NH3)(H)2	H(CCHN)	H(CCHN)	108.2370	0.593	2	108.2370	0.351	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(NPdCH)(H)2	H(CCHN)	H(CCHN)	C(CN[5a]HH)(NPdCH)(H)2	H(CCHN)	H(CCHN)	107.9190	0.298	2	107.9190	0.089	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[6,6]HH)(NGaHH)(H)2	H(CCHN)	H(CCHN)	C(CN[6,6]HH)(NGaHH)(H)2	H(CCHN)	H(CCHN)	108.2620	0.000	1	108.2620	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[6]CC)(NCoCC)(H)2	H(CCHN)	H(CCHN)	C(CN[6]CC)(NCoCC)(H)2	H(CCHN)	H(CCHN)	107.8985	0.127	4	107.8985	0.016	4	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[6]CC)(NCuCC)(H)2	H(CCHN)	H(CCHN)	C(CN[6]CC)(NCuCC)(H)2	H(CCHN)	H(CCHN)	107.8432	0.162	4	107.8432	0.026	4	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[6]CC)(NZnCC)(H)2	H(CCHN)	H(CCHN)	C(CN[6]CC)(NZnCC)(H)2	H(CCHN)	H(CCHN)	107.8460	0.000	1	107.8460	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[6]CH)(NCuCH)(H)2	H(CCHN)	H(CCHN)	C(CN[6]CH)(NCuCH)(H)2	H(CCHN)	H(CCHN)	107.7600	0.000	1	107.7600	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NCCH)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NCCH)(H)2	H(CCHN)	H(CCHN)	108.0045	0.162	2	108.0045	0.026	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NCHH)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NCHH)(H)2	H(CCHN)	H(CCHN)	108.2680	0.000	1	108.2680	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NCdHH)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NCdHH)(H)2	H(CCHN)	H(CCHN)	108.0320	0.000	1	108.0320	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NCoCH)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NCoCH)(H)2	H(CCHN)	H(CCHN)	108.5300	0.000	1	108.5300	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NCoHH)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NCoHH)(H)2	H(CCHN)	H(CCHN)	108.2470	0.000	1	108.2470	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NCuCC)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NCuCC)(H)2	H(CCHN)	H(CCHN)	108.8365	0.896	2	108.8365	0.803	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NCuCH)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NCuCH)(H)2	H(CCHN)	H(CCHN)	108.4990	0.000	1	108.4990	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NFeCH)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NFeCH)(H)2	H(CCHN)	H(CCHN)	108.4710	0.110	2	108.4710	0.012	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NH3)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NH3)(H)2	H(CCHN)	H(CCHN)	108.4514	2.155	33	108.4514	4.645	33	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NIrCH)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NIrCH)(H)2	H(CCHN)	H(CCHN)	107.9765	0.204	2	107.9765	0.042	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NMnCH)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NMnCH)(H)2	H(CCHN)	H(CCHN)	108.1005	0.180	2	108.1005	0.033	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NNiHH)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NNiHH)(H)2	H(CCHN)	H(CCHN)	108.3420	0.000	1	108.3420	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NPtHH)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NPtHH)(H)2	H(CCHN)	H(CCHN)	108.3040	0.000	1	108.3040	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NRuCH)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NRuCH)(H)2	H(CCHN)	H(CCHN)	108.5360	0.239	6	108.5360	0.057	6	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(NZnHH)(H)2	H(CCHN)	H(CCHN)	C(CN[6]HH)(NZnHH)(H)2	H(CCHN)	H(CCHN)	108.1570	0.000	1	108.1570	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CN[6a]HH)(NC3)(H)2	H(CCHN)	H(CCHN)	C(CN[6a]HH)(NC3)(H)2	H(CCHN)	H(CCHN)	107.5810	0.000	1	107.5810	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CSeHH)(NCuCC)(H)2	H(CCHN)	H(CCHN)	C(CSeHH)(NCuCC)(H)2	H(CCHN)	H(CCHN)	107.7612	0.055	5	107.7612	0.003	5	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CSeHH)(NCuCH)(H)2	H(CCHN)	H(CCHN)	C(CSeHH)(NCuCH)(H)2	H(CCHN)	H(CCHN)	108.3900	0.000	1	108.3900	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CSeHH)(NMnCH)(H)2	H(CCHN)	H(CCHN)	C(CSeHH)(NMnCH)(H)2	H(CCHN)	H(CCHN)	107.6907	0.323	3	107.6907	0.104	3	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CSeHH)(NPdCC)(H)2	H(CCHN)	H(CCHN)	C(CSeHH)(NPdCC)(H)2	H(CCHN)	H(CCHN)	107.8393	0.159	3	107.8393	0.025	3	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CSeHH)(NPdCH)(H)2	H(CCHN)	H(CCHN)	C(CSeHH)(NPdCH)(H)2	H(CCHN)	H(CCHN)	108.0230	0.206	3	108.0230	0.043	3	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CSeHH)(NPtCC)(H)2	H(CCHN)	H(CCHN)	C(CSeHH)(NPtCC)(H)2	H(CCHN)	H(CCHN)	107.6910	0.000	1	107.6910	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CSeHH)(NPtHH)(H)2	H(CCHN)	H(CCHN)	C(CSeHH)(NPtHH)(H)2	H(CCHN)	H(CCHN)	108.2260	0.136	2	108.2260	0.018	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CSeHH)(NRhHH)(H)2	H(CCHN)	H(CCHN)	C(CSeHH)(NRhHH)(H)2	H(CCHN)	H(CCHN)	109.3427	0.063	3	109.3427	0.004	3	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CSeHH)(NRuCH)(H)2	H(CCHN)	H(CCHN)	C(CSeHH)(NRuCH)(H)2	H(CCHN)	H(CCHN)	107.9440	0.000	1	107.9440	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CSiHH)(NCHH)(H)2	H(CCHN)	H(CCHN)	C(CSiHH)(NCHH)(H)2	H(CCHN)	H(CCHN)	107.8230	0.000	1	107.8230	0.000	1	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CTeHH)(NPdCC)(H)2	H(CCHN)	H(CCHN)	C(CTeHH)(NPdCC)(H)2	H(CCHN)	H(CCHN)	107.4420	0.175	2	107.4420	0.031	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	C-4:	C-4:	C(CYbNO)(NYbCC)(H)2	H(CCHN)	H(CCHN)	C(CYbNO)(NYbCC)(H)2	H(CCHN)	H(CCHN)	107.8750	0.256	2	107.8750	0.066	2	107.7833	1.691	10859	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:N[6]-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[6]H)(N[6]C[6]2H)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(CC[6a]C[6]H)(N[6]C[6]2H)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.2900	1.271	2	108.2900	1.616	2	108.2900	1.616	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:O-4:H-1:H-1:	C-4:	C-4:	C(CCCN)(ONi3)(H)2	H(CCHO)	H(CCHO)	C(CCCN)(ONi3)(H)2	H(CCHO)	H(CCHO)	108.2123	0.439	6	108.2123	0.193	6	108.3921	4.713	38	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:O-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(OFe3)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OFe3)(H)2	H(CCHO)	H(CCHO)	107.5790	0.135	3	107.5790	0.018	3	108.3921	4.713	38	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:O-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(OMg3)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(OMg3)(H)2	H(CCHO)	H(CCHO)	107.6690	0.164	2	107.6690	0.027	2	108.3921	4.713	38	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:O-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(ONi3)(H)2	H(CCHO)	H(CCHO)	C(CCHH)(ONi3)(H)2	H(CCHO)	H(CCHO)	107.7370	0.000	1	107.7370	0.000	1	108.3921	4.713	38	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:O-4:H-1:H-1:	C-4:	C-4:	C(CCHN)(ONi3)(H)2	H(CCHO)	H(CCHO)	C(CCHN)(ONi3)(H)2	H(CCHO)	H(CCHO)	107.9960	0.084	4	107.9960	0.007	4	108.3921	4.713	38	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:O-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(ONi3)(H)2	H(CCHO)	H(CCHO)	C(CC[6]HH)(ONi3)(H)2	H(CCHO)	H(CCHO)	107.9520	0.000	1	107.9520	0.000	1	108.3921	4.713	38	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:O-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(OCo3)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OCo3)(H)2	H(CCHO)	H(CCHO)	108.4093	0.192	3	108.4093	0.037	3	108.3921	4.713	38	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:O-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(OFe3)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OFe3)(H)2	H(CCHO)	H(CCHO)	108.3997	0.507	6	108.3997	0.257	6	108.3921	4.713	38	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:O-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(OLi3)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OLi3)(H)2	H(CCHO)	H(CCHO)	107.8300	0.136	3	107.8300	0.018	3	108.3921	4.713	38	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:O-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(OMn3)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(OMn3)(H)2	H(CCHO)	H(CCHO)	108.3940	0.000	1	108.3940	0.000	1	108.3921	4.713	38	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:O-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(ONi3)(H)2	H(CCHO)	H(CCHO)	C(CHHN)(ONi3)(H)2	H(CCHO)	H(CCHO)	121.1970	0.000	1	121.1970	0.000	1	108.3921	4.713	38	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:O-4:H-1:H-1:	C-4:	C-4:	C(CHHO)(OMn3)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(OMn3)(H)2	H(CCHO)	H(CCHO)	108.1977	0.058	3	108.1977	0.003	3	108.3921	4.713	38	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:O-4:H-1:H-1:	C-4:	C-4:	C(CHHO)(ONi3)(H)2	H(CCHO)	H(CCHO)	C(CHHO)(ONi3)(H)2	H(CCHO)	H(CCHO)	107.5715	0.426	2	107.5715	0.182	2	108.3921	4.713	38	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:O-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(ONi3)(H)2	H(CCHO)	H(CCHO)	C(CN[5]HH)(ONi3)(H)2	H(CCHO)	H(CCHO)	107.7180	0.099	2	107.7180	0.010	2	108.3921	4.713	38	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CB[6,6]HH)(PC[6a]2Re)(H)2	H(CCHP)	H(CCHP)	C(CB[6,6]HH)(PC[6a]2Re)(H)2	H(CCHP)	H(CCHP)	107.5168	0.370	4	107.5168	0.137	4	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CB[6,6]HH)(PC[6a]2Rh)(H)2	H(CCHP)	H(CCHP)	C(CB[6,6]HH)(PC[6a]2Rh)(H)2	H(CCHP)	H(CCHP)	107.7125	0.524	2	107.7125	0.275	2	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CB[6,6]HH)(PC[6a]2Ru)(H)2	H(CCHP)	H(CCHP)	C(CB[6,6]HH)(PC[6a]2Ru)(H)2	H(CCHP)	H(CCHP)	108.1150	0.000	1	108.1150	0.000	1	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CCCH)(PC3)(H)2	H(CCHP)	H(CCHP)	C(CCCH)(PC3)(H)2	H(CCHP)	H(CCHP)	107.0530	0.000	1	107.0530	0.000	1	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CCCH)(PCSS)(H)2	H(CCHP)	H(CCHP)	C(CCCH)(PCSS)(H)2	H(CCHP)	H(CCHP)	107.2496	0.167	10	107.2496	0.028	10	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CCCH)(PO3)(H)2	H(CCHP)	H(CCHP)	C(CCCH)(PO3)(H)2	H(CCHP)	H(CCHP)	107.2850	0.028	2	107.2850	0.001	2	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CCCO)(PC3)(H)2	H(CCHP)	H(CCHP)	C(CCCO)(PC3)(H)2	H(CCHP)	H(CCHP)	107.2083	0.712	3	107.2083	0.507	3	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CCCO)(PCCN)(H)2	H(CCHP)	H(CCHP)	C(CCCO)(PCCN)(H)2	H(CCHP)	H(CCHP)	106.9190	0.000	1	106.9190	0.000	1	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CCCO)(PCCS)(H)2	H(CCHP)	H(CCHP)	C(CCCO)(PCCS)(H)2	H(CCHP)	H(CCHP)	106.7635	0.037	2	106.7635	0.001	2	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CCCO)(PCOW)(H)2	H(CCHP)	H(CCHP)	C(CCCO)(PCOW)(H)2	H(CCHP)	H(CCHP)	107.2545	0.176	2	107.2545	0.031	2	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(PBCC)(H)2	H(CCHP)	H(CCHP)	C(CCHH)(PBCC)(H)2	H(CCHP)	H(CCHP)	107.3808	1.035	5	107.3808	1.071	5	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(PC3)(H)2	H(CCHP)	H(CCHP)	C(CCHH)(PC3)(H)2	H(CCHP)	H(CCHP)	107.4696	0.287	93	107.4696	0.082	93	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(PCCH)(H)2	H(CCHP)	H(CCHP)	C(CCHH)(PCCH)(H)2	H(CCHP)	H(CCHP)	107.4750	0.252	6	107.4750	0.064	6	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(PCCO)(H)2	H(CCHP)	H(CCHP)	C(CCHH)(PCCO)(H)2	H(CCHP)	H(CCHP)	107.1858	0.492	17	107.1858	0.243	17	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(PCCW)(H)2	H(CCHP)	H(CCHP)	C(CCHH)(PCCW)(H)2	H(CCHP)	H(CCHP)	107.4290	0.000	1	107.4290	0.000	1	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(PCOO)(H)2	H(CCHP)	H(CCHP)	C(CCHH)(PCOO)(H)2	H(CCHP)	H(CCHP)	107.6370	0.000	1	107.6370	0.000	1	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(PFe3)(H)2	H(CCHP)	H(CCHP)	C(CCHH)(PFe3)(H)2	H(CCHP)	H(CCHP)	109.2800	0.013	2	109.2800	0.000	2	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(PNOS)(H)2	H(CCHP)	H(CCHP)	C(CCHH)(PNOS)(H)2	H(CCHP)	H(CCHP)	107.6770	0.307	2	107.6770	0.094	2	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(PO3)(H)2	H(CCHP)	H(CCHP)	C(CCHH)(PO3)(H)2	H(CCHP)	H(CCHP)	107.6069	0.562	44	107.6069	0.316	44	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(PSe3)(H)2	H(CCHP)	H(CCHP)	C(CCHH)(PSe3)(H)2	H(CCHP)	H(CCHP)	107.2940	0.000	1	107.2940	0.000	1	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CCHN)(PHOO)(H)2	H(CCHP)	H(CCHP)	C(CCHN)(PHOO)(H)2	H(CCHP)	H(CCHP)	109.5770	0.000	1	109.5770	0.000	1	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CCHN)(PO3)(H)2	H(CCHP)	H(CCHP)	C(CCHN)(PO3)(H)2	H(CCHP)	H(CCHP)	107.5680	0.000	1	107.5680	0.000	1	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CCHO)(PCCS)(H)2	H(CCHP)	H(CCHP)	C(CCHO)(PCCS)(H)2	H(CCHP)	H(CCHP)	107.6595	0.073	2	107.6595	0.005	2	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CC[5]C[6]H)(PC[6a]2Rh)(H)2	H(CCHP)	H(CCHP)	C(CC[5]C[6]H)(PC[6a]2Rh)(H)2	H(CCHP)	H(CCHP)	108.1330	0.000	1	108.1330	0.000	1	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(PAuCH)(H)2	H(CCHP)	H(CCHP)	C(CC[5]HH)(PAuCH)(H)2	H(CCHP)	H(CCHP)	107.8340	0.000	1	107.8340	0.000	1	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(PC3)(H)2	H(CCHP)	H(CCHP)	C(CC[5]HH)(PC3)(H)2	H(CCHP)	H(CCHP)	107.8500	0.120	3	107.8500	0.014	3	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(PCCW)(H)2	H(CCHP)	H(CCHP)	C(CC[5]HH)(PCCW)(H)2	H(CCHP)	H(CCHP)	107.6025	0.049	2	107.6025	0.002	2	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(PO3)(H)2	H(CCHP)	H(CCHP)	C(CC[5]HH)(PO3)(H)2	H(CCHP)	H(CCHP)	108.0460	1.763	4	108.0460	3.108	4	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CC[6]2H)(PRuCC)(H)2	H(CCHP)	H(CCHP)	C(CC[6]2H)(PRuCC)(H)2	H(CCHP)	H(CCHP)	107.8570	0.074	2	107.8570	0.005	2	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(PO3)(H)2	H(CCHP)	H(CCHP)	C(CC[6]HH)(PO3)(H)2	H(CCHP)	H(CCHP)	103.8477	5.875	2	103.8477	34.516	2	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(PRuCC)(H)2	H(CCHP)	H(CCHP)	C(CC[6]HH)(PRuCC)(H)2	H(CCHP)	H(CCHP)	108.0703	0.320	3	108.0703	0.102	3	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2O)(PBCC)(H)2	H(CCHP)	H(CCHP)	C(CC[6a]2O)(PBCC)(H)2	H(CCHP)	H(CCHP)	107.1000	0.000	1	107.1000	0.000	1	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2O)(PCCS)(H)2	H(CCHP)	H(CCHP)	C(CC[6a]2O)(PCCS)(H)2	H(CCHP)	H(CCHP)	107.1360	0.000	1	107.1360	0.000	1	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2O)(PC[6a]BC)(H)2	H(CCHP)	H(CCHP)	C(CC[6a]2O)(PC[6a]BC)(H)2	H(CCHP)	H(CCHP)	106.9880	0.171	2	106.9880	0.029	2	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(PSeOO)(H)2	H(CCHP)	H(CCHP)	C(CC[6a]CH)(PSeOO)(H)2	H(CCHP)	H(CCHP)	107.6270	0.000	1	107.6270	0.000	1	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(PBCC)(H)2	H(CCHP)	H(CCHP)	C(CC[6a]HH)(PBCC)(H)2	H(CCHP)	H(CCHP)	107.8345	0.002	2	107.8345	0.000	2	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(PCCO)(H)2	H(CCHP)	H(CCHP)	C(CC[6a]HH)(PCCO)(H)2	H(CCHP)	H(CCHP)	108.0370	0.000	1	108.0370	0.000	1	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(PO3)(H)2	H(CCHP)	H(CCHP)	C(CC[6a]HH)(PO3)(H)2	H(CCHP)	H(CCHP)	107.9430	0.000	1	107.9430	0.000	1	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(PRhCC)(H)2	H(CCHP)	H(CCHP)	C(CC[6a]HH)(PRhCC)(H)2	H(CCHP)	H(CCHP)	106.5195	0.288	4	106.5195	0.083	4	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(PSe2C)(H)2	H(CCHP)	H(CCHP)	C(CC[6a]HH)(PSe2C)(H)2	H(CCHP)	H(CCHP)	107.4240	0.184	2	107.4240	0.034	2	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(PC[6a]2B)(H)2	H(CCHP)	H(CCHP)	C(CC[6a]HO)(PC[6a]2B)(H)2	H(CCHP)	H(CCHP)	108.0720	0.000	1	108.0720	0.000	1	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]RuH)(PC[6]2Ru)(H)2	H(CCHP)	H(CCHP)	C(CC[6a]RuH)(PC[6]2Ru)(H)2	H(CCHP)	H(CCHP)	109.7160	0.000	1	109.7160	0.000	1	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CCoHN)(PCoCC)(H)2	H(CCHP)	H(CCHP)	C(CCoHN)(PCoCC)(H)2	H(CCHP)	H(CCHP)	108.5260	0.000	1	108.5260	0.000	1	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CH3)(PC3)(H)2	H(CCHP)	H(CCHP)	C(CH3)(PC3)(H)2	H(CCHP)	H(CCHP)	107.6903	0.474	51	107.6903	0.225	51	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(PC3)(H)2	H(CCHP)	H(CCHP)	C(CHHN)(PC3)(H)2	H(CCHP)	H(CCHP)	107.5405	0.084	2	107.5405	0.007	2	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(PCCN)(H)2	H(CCHP)	H(CCHP)	C(CHHN)(PCCN)(H)2	H(CCHP)	H(CCHP)	107.1600	0.000	1	107.1600	0.000	1	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(PCCW)(H)2	H(CCHP)	H(CCHP)	C(CHHN)(PCCW)(H)2	H(CCHP)	H(CCHP)	108.0090	0.116	4	108.0090	0.013	4	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CHHO)(PBCC)(H)2	H(CCHP)	H(CCHP)	C(CHHO)(PBCC)(H)2	H(CCHP)	H(CCHP)	107.4697	0.298	6	107.4697	0.089	6	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CHHO)(PC3)(H)2	H(CCHP)	H(CCHP)	C(CHHO)(PC3)(H)2	H(CCHP)	H(CCHP)	107.1162	0.596	4	107.1162	0.356	4	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CHHP)(PBCC)(H)2	H(CCHP)	H(CCHP)	C(CHHP)(PBCC)(H)2	H(CCHP)	H(CCHP)	108.0834	1.079	12	108.0834	1.163	12	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CHHP)(PC3)(H)2	H(CCHP)	H(CCHP)	C(CHHP)(PC3)(H)2	H(CCHP)	H(CCHP)	107.4827	0.392	3	107.4827	0.153	3	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CHHP)(PCCH)(H)2	H(CCHP)	H(CCHP)	C(CHHP)(PCCH)(H)2	H(CCHP)	H(CCHP)	107.8630	0.000	1	107.8630	0.000	1	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CHHP)(PCCI)(H)2	H(CCHP)	H(CCHP)	C(CHHP)(PCCI)(H)2	H(CCHP)	H(CCHP)	107.2530	0.000	1	107.2530	0.000	1	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CHHP)(PCCO)(H)2	H(CCHP)	H(CCHP)	C(CHHP)(PCCO)(H)2	H(CCHP)	H(CCHP)	107.7403	0.165	3	107.7403	0.027	3	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CHHP)(PCCP)(H)2	H(CCHP)	H(CCHP)	C(CHHP)(PCCP)(H)2	H(CCHP)	H(CCHP)	107.8123	0.075	6	107.8123	0.006	6	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CHHP)(PCCU)(H)2	H(CCHP)	H(CCHP)	C(CHHP)(PCCU)(H)2	H(CCHP)	H(CCHP)	107.9692	0.230	14	107.9692	0.053	14	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CHHP)(PCCV)(H)2	H(CCHP)	H(CCHP)	C(CHHP)(PCCV)(H)2	H(CCHP)	H(CCHP)	108.2448	0.682	12	108.2448	0.465	12	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CHHP)(PCCW)(H)2	H(CCHP)	H(CCHP)	C(CHHP)(PCCW)(H)2	H(CCHP)	H(CCHP)	107.5178	1.532	58	107.5178	2.349	58	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CHHP)(PCOO)(H)2	H(CCHP)	H(CCHP)	C(CHHP)(PCOO)(H)2	H(CCHP)	H(CCHP)	111.1075	1.766	2	111.1075	3.118	2	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CHHP)(PHOO)(H)2	H(CCHP)	H(CCHP)	C(CHHP)(PHOO)(H)2	H(CCHP)	H(CCHP)	110.3140	0.000	1	110.3140	0.000	1	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CHHP)(PO3)(H)2	H(CCHP)	H(CCHP)	C(CHHP)(PO3)(H)2	H(CCHP)	H(CCHP)	108.4744	2.891	5	108.4744	8.356	5	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CHHS)(PCCO)(H)2	H(CCHP)	H(CCHP)	C(CHHS)(PCCO)(H)2	H(CCHP)	H(CCHP)	107.5560	0.000	1	107.5560	0.000	1	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CHHS)(PCCW)(H)2	H(CCHP)	H(CCHP)	C(CHHS)(PCCW)(H)2	H(CCHP)	H(CCHP)	109.4284	0.194	5	109.4284	0.038	5	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CN[4]HH)(PC[6]2B)(H)2	H(CCHP)	H(CCHP)	C(CN[4]HH)(PC[6]2B)(H)2	H(CCHP)	H(CCHP)	107.7610	0.000	1	107.7610	0.000	1	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(PNiCC)(H)2	H(CCHP)	H(CCHP)	C(CN[5]HH)(PNiCC)(H)2	H(CCHP)	H(CCHP)	107.6603	0.021	4	107.6603	0.000	4	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(PRuCC)(H)2	H(CCHP)	H(CCHP)	C(CN[5]HH)(PRuCC)(H)2	H(CCHP)	H(CCHP)	107.7840	0.182	2	107.7840	0.033	2	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(COPP)(PC3)(H)2	H(CCHP)	H(CCHP)	C(COPP)(PC3)(H)2	H(CCHP)	H(CCHP)	106.1740	0.000	1	106.1740	0.000	1	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:P-4:H-1:H-1:	C-4:	C-4:	C(CRuCH)(PRuCC)(H)2	H(CCHP)	H(CCHP)	C(CRuCH)(PRuCC)(H)2	H(CCHP)	H(CCHP)	108.1705	2.973	2	108.1705	8.841	2	107.6304	0.945	442	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CCCN)(SO3)(H)2	H(CCHS)	H(CCHS)	C(CCCN)(SO3)(H)2	H(CCHS)	H(CCHS)	107.0190	0.027	3	107.0190	0.001	3	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(SCOO)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SCOO)(H)2	H(CCHS)	H(CCHS)	109.2404	3.126	8	109.2404	9.774	8	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(SFe3)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SFe3)(H)2	H(CCHS)	H(CCHS)	109.4700	0.225	2	109.4700	0.051	2	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(SMn3)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SMn3)(H)2	H(CCHS)	H(CCHS)	107.4944	0.268	7	107.4944	0.072	7	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(SNOO)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SNOO)(H)2	H(CCHS)	H(CCHS)	107.7963	0.154	3	107.7963	0.024	3	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(SO3)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SO3)(H)2	H(CCHS)	H(CCHS)	107.9081	0.725	39	107.9081	0.526	39	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CCHN)(SO3)(H)2	H(CCHS)	H(CCHS)	C(CCHN)(SO3)(H)2	H(CCHS)	H(CCHS)	109.4898	0.036	5	109.4898	0.001	5	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CCHO)(SCOO)(H)2	H(CCHS)	H(CCHS)	C(CCHO)(SCOO)(H)2	H(CCHS)	H(CCHS)	107.5610	0.000	1	107.5610	0.000	1	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CCHO)(SO3)(H)2	H(CCHS)	H(CCHS)	C(CCHO)(SO3)(H)2	H(CCHS)	H(CCHS)	107.6800	0.000	1	107.6800	0.000	1	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(SCu2C)(H)2	H(CCHS)	H(CCHS)	C(CC[6]HH)(SCu2C)(H)2	H(CCHS)	H(CCHS)	107.7367	0.021	3	107.7367	0.000	3	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(SO3)(H)2	H(CCHS)	H(CCHS)	C(CC[6]HH)(SO3)(H)2	H(CCHS)	H(CCHS)	107.8180	0.000	1	107.8180	0.000	1	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2H)(SC[6a]OO)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]2H)(SC[6a]OO)(H)2	H(CCHS)	H(CCHS)	107.4700	0.000	1	107.4700	0.000	1	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]2O)(SC[6a]OO)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]2O)(SC[6a]OO)(H)2	H(CCHS)	H(CCHS)	107.4970	0.000	1	107.4970	0.000	1	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(SCOO)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]CC)(SCOO)(H)2	H(CCHS)	H(CCHS)	107.2085	0.425	2	107.2085	0.181	2	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(SC[6a]OO)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]CC)(SC[6a]OO)(H)2	H(CCHS)	H(CCHS)	106.5760	0.000	1	106.5760	0.000	1	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(SPdOO)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]CC)(SPdOO)(H)2	H(CCHS)	H(CCHS)	109.6500	0.000	1	109.6500	0.000	1	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(SC[5a]OO)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]CH)(SC[5a]OO)(H)2	H(CCHS)	H(CCHS)	107.2635	0.582	2	107.2635	0.339	2	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(SC[6a]OO)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]CH)(SC[6a]OO)(H)2	H(CCHS)	H(CCHS)	107.3730	0.144	4	107.3730	0.021	4	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(SFOO)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]CH)(SFOO)(H)2	H(CCHS)	H(CCHS)	107.7170	0.000	1	107.7170	0.000	1	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(SC[6a]OO)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]CO)(SC[6a]OO)(H)2	H(CCHS)	H(CCHS)	107.2705	0.207	2	107.2705	0.043	2	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[3]H)(SC[6a]OO)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]C[3]H)(SC[6a]OO)(H)2	H(CCHS)	H(CCHS)	107.3020	0.000	1	107.3020	0.000	1	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5]H)(SC[5a]OO)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]C[5]H)(SC[5a]OO)(H)2	H(CCHS)	H(CCHS)	107.4830	0.000	1	107.4830	0.000	1	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]C[5]H)(SFOO)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]C[5]H)(SFOO)(H)2	H(CCHS)	H(CCHS)	107.6200	0.000	1	107.6200	0.000	1	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(SCOO)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]HH)(SCOO)(H)2	H(CCHS)	H(CCHS)	108.0880	0.000	1	108.0880	0.000	1	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(SNOO)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]HH)(SNOO)(H)2	H(CCHS)	H(CCHS)	107.7420	0.000	1	107.7420	0.000	1	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(SN[6]OO)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]HH)(SN[6]OO)(H)2	H(CCHS)	H(CCHS)	107.8680	0.000	1	107.8680	0.000	1	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(SO3)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]HH)(SO3)(H)2	H(CCHS)	H(CCHS)	108.0100	0.068	2	108.0100	0.005	2	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(SC[6a]OO)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]HO)(SC[6a]OO)(H)2	H(CCHS)	H(CCHS)	107.3930	0.000	1	107.3930	0.000	1	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HP)(SO3)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]HP)(SO3)(H)2	H(CCHS)	H(CCHS)	107.8540	0.000	1	107.8540	0.000	1	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HS)(SC[6a]OO)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]HS)(SC[6a]OO)(H)2	H(CCHS)	H(CCHS)	107.6060	0.000	1	107.6060	0.000	1	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]N[5]H)(SCOO)(H)2	H(CCHS)	H(CCHS)	C(CC[6a]N[5]H)(SCOO)(H)2	H(CCHS)	H(CCHS)	107.6900	0.249	5	107.6900	0.062	5	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CH3)(SO3)(H)2	H(CCHS)	H(CCHS)	C(CH3)(SO3)(H)2	H(CCHS)	H(CCHS)	107.8575	0.100	4	107.8575	0.010	4	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(SO3)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SO3)(H)2	H(CCHS)	H(CCHS)	108.8493	1.501	15	108.8493	2.252	15	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CHHN)(SOOS)(H)2	H(CCHS)	H(CCHS)	C(CHHN)(SOOS)(H)2	H(CCHS)	H(CCHS)	108.0700	0.000	1	108.0700	0.000	1	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CHHO)(SCOO)(H)2	H(CCHS)	H(CCHS)	C(CHHO)(SCOO)(H)2	H(CCHS)	H(CCHS)	107.4730	0.160	2	107.4730	0.026	2	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CHHP)(SO3)(H)2	H(CCHS)	H(CCHS)	C(CHHP)(SO3)(H)2	H(CCHS)	H(CCHS)	107.6080	0.000	1	107.6080	0.000	1	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CHHS)(SO3)(H)2	H(CCHS)	H(CCHS)	C(CHHS)(SO3)(H)2	H(CCHS)	H(CCHS)	107.8134	3.122	17	107.8134	9.747	17	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(SCOO)(H)2	H(CCHS)	H(CCHS)	C(CN[5]HH)(SCOO)(H)2	H(CCHS)	H(CCHS)	107.8898	0.179	6	107.8898	0.032	6	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(SFOO)(H)2	H(CCHS)	H(CCHS)	C(CN[5]HH)(SFOO)(H)2	H(CCHS)	H(CCHS)	107.8440	0.000	1	107.8440	0.000	1	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(SNOO)(H)2	H(CCHS)	H(CCHS)	C(CN[5]HH)(SNOO)(H)2	H(CCHS)	H(CCHS)	108.2118	2.645	9	108.2118	6.994	9	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(SO3)(H)2	H(CCHS)	H(CCHS)	C(CN[5]HH)(SO3)(H)2	H(CCHS)	H(CCHS)	108.2370	0.085	2	108.2370	0.007	2	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(SFOO)(H)2	H(CCHS)	H(CCHS)	C(CN[6]HH)(SFOO)(H)2	H(CCHS)	H(CCHS)	107.9607	0.078	3	107.9607	0.006	3	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(SN[6]OO)(H)2	H(CCHS)	H(CCHS)	C(CN[6]HH)(SN[6]OO)(H)2	H(CCHS)	H(CCHS)	108.3220	0.000	1	108.3220	0.000	1	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(SO3)(H)2	H(CCHS)	H(CCHS)	C(CN[6]HH)(SO3)(H)2	H(CCHS)	H(CCHS)	108.2478	1.953	5	108.2478	3.816	5	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CN[6a]HH)(SO3)(H)2	H(CCHS)	H(CCHS)	C(CN[6a]HH)(SO3)(H)2	H(CCHS)	H(CCHS)	104.6539	8.199	6	104.6539	67.228	6	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	C-4:	C-4:	C(CSiHH)(SNOO)(H)2	H(CCHS)	H(CCHS)	C(CSiHH)(SNOO)(H)2	H(CCHS)	H(CCHS)	107.8653	0.196	3	107.8653	0.039	3	107.9187	4.525	180	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Si-4:H-1:H-1:	C-4:	C-4:	C(CCCH)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	C(CCCH)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	107.3790	1.078	5	107.3790	1.162	5	107.3862	0.686	174	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Si-4:H-1:H-1:	C-4:	C-4:	C(CCCH)(SiO3)(H)2	H(CSiCH)	H(CSiCH)	C(CCCH)(SiO3)(H)2	H(CSiCH)	H(CSiCH)	107.7032	1.104	18	107.7032	1.219	18	107.3862	0.686	174	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Si-4:H-1:H-1:	C-4:	C-4:	C(CCCN)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	C(CCCN)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	106.6375	0.153	13	106.6375	0.024	13	107.3862	0.686	174	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Si-4:H-1:H-1:	C-4:	C-4:	C(CCCO)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	C(CCCO)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	106.7980	0.000	1	106.7980	0.000	1	107.3862	0.686	174	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Si-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	C(CCHH)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	107.4288	0.529	20	107.4288	0.280	20	107.3862	0.686	174	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Si-4:H-1:H-1:	C-4:	C-4:	C(CCHH)(SiO3)(H)2	H(CSiCH)	H(CSiCH)	C(CCHH)(SiO3)(H)2	H(CSiCH)	H(CSiCH)	107.6442	0.356	48	107.6442	0.126	48	107.3862	0.686	174	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Si-4:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	C(CC[5]HH)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	107.5630	0.000	1	107.5630	0.000	1	107.3862	0.686	174	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Si-4:H-1:H-1:	C-4:	C-4:	C(CC[6,6]HH)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	C(CC[6,6]HH)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	107.2070	0.000	1	107.2070	0.000	1	107.3862	0.686	174	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Si-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	C(CC[6a]CH)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	107.2287	0.080	3	107.2287	0.006	3	107.3862	0.686	174	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Si-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(SiSi3)(H)2	H(CSiCH)	H(CSiCH)	C(CC[6a]CH)(SiSi3)(H)2	H(CSiCH)	H(CSiCH)	107.3490	0.000	1	107.3490	0.000	1	107.3862	0.686	174	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Si-4:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(SiCFF)(H)2	H(CSiCH)	H(CSiCH)	C(CC[6a]HH)(SiCFF)(H)2	H(CSiCH)	H(CSiCH)	107.5305	0.047	2	107.5305	0.002	2	107.3862	0.686	174	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Si-4:H-1:H-1:	C-4:	C-4:	C(CCo3)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	C(CCo3)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	106.5110	0.000	1	106.5110	0.000	1	107.3862	0.686	174	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Si-4:H-1:H-1:	C-4:	C-4:	C(CCrCH)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	C(CCrCH)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	107.8810	0.000	1	107.8810	0.000	1	107.3862	0.686	174	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Si-4:H-1:H-1:	C-4:	C-4:	C(CHHO)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	C(CHHO)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	107.4820	0.218	18	107.4820	0.048	18	107.3862	0.686	174	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Si-4:H-1:H-1:	C-4:	C-4:	C(CHHP)(SiO3)(H)2	H(CSiCH)	H(CSiCH)	C(CHHP)(SiO3)(H)2	H(CSiCH)	H(CSiCH)	107.7900	0.000	1	107.7900	0.000	1	107.3862	0.686	174	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Si-4:H-1:H-1:	C-4:	C-4:	C(CHHS)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	C(CHHS)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	107.4609	0.735	8	107.4609	0.540	8	107.3862	0.686	174	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Si-4:H-1:H-1:	C-4:	C-4:	C(CHHS)(SiO3)(H)2	H(CSiCH)	H(CSiCH)	C(CHHS)(SiO3)(H)2	H(CSiCH)	H(CSiCH)	107.5030	0.000	1	107.5030	0.000	1	107.3862	0.686	174	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Si-4:H-1:H-1:	C-4:	C-4:	C(CNNY)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	C(CNNY)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	106.0400	0.000	1	106.0400	0.000	1	107.3862	0.686	174	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Si-4:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	C(CN[5]HH)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	107.5130	0.000	1	107.5130	0.000	1	107.3862	0.686	174	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Si-4:H-1:H-1:	C-4:	C-4:	C(CN[5a]CH)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	C(CN[5a]CH)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	107.1240	0.000	1	107.1240	0.000	1	107.3862	0.686	174	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Si-4:H-1:H-1:	C-4:	C-4:	C(CSiHH)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	C(CSiHH)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	107.2118	1.053	12	107.2118	1.110	12	107.3862	0.686	174	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Si-4:H-1:H-1:	C-4:	C-4:	C(CSiHH)(SiCCN)(H)2	H(CSiCH)	H(CSiCH)	C(CSiHH)(SiCCN)(H)2	H(CSiCH)	H(CSiCH)	105.7377	2.403	3	105.7377	5.775	3	107.3862	0.686	174	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Si-4:H-1:H-1:	C-4:	C-4:	C(CSiHH)(SiCCO)(H)2	H(CSiCH)	H(CSiCH)	C(CSiHH)(SiCCO)(H)2	H(CSiCH)	H(CSiCH)	107.5601	0.130	9	107.5601	0.017	9	107.3862	0.686	174	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Si-4:H-1:H-1:	C-4:	C-4:	C(CSiHH)(SiCOO)(H)2	H(CSiCH)	H(CSiCH)	C(CSiHH)(SiCOO)(H)2	H(CSiCH)	H(CSiCH)	107.7370	0.000	1	107.7370	0.000	1	107.3862	0.686	174	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Si-4:H-1:H-1:	C-4:	C-4:	C(CSiHH)(SiCl3)(H)2	H(CSiCH)	H(CSiCH)	C(CSiHH)(SiCl3)(H)2	H(CSiCH)	H(CSiCH)	102.1370	0.000	1	102.1370	0.000	1	107.3862	0.686	174	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Si-4:H-1:H-1:	C-4:	C-4:	C(CSiHH)(SiF3)(H)2	H(CSiCH)	H(CSiCH)	C(CSiHH)(SiF3)(H)2	H(CSiCH)	H(CSiCH)	108.0840	0.000	1	108.0840	0.000	1	107.3862	0.686	174	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C-4:Si-4:H-1:H-1:	C-4:	C-4:	C(CSi[3]HH)(SiSi3)(H)2	H(CSiCH)	H(CSiCH)	C(CSi[3]HH)(SiSi3)(H)2	H(CSiCH)	H(CSiCH)	107.7210	0.000	1	107.7210	0.000	1	107.3862	0.686	174	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,3,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(CCHH)(H)2	H(CC[3,3,6]CH)	H(CC[3,3,6]CH)	C(C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(CCHH)(H)2	H(CC[3,3,6]CH)	H(CC[3,3,6]CH)	107.5490	0.000	1	107.5490	0.000	1	107.6665	0.028	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,3,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(CH3)(H)2	H(CC[3,3,6]CH)	H(CC[3,3,6]CH)	C(C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(CH3)(H)2	H(CC[3,3,6]CH)	H(CC[3,3,6]CH)	107.7840	0.000	1	107.7840	0.000	1	107.6665	0.028	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,3]Nb[6x3]C[3,3]2)(CH3)(H)2	H(CC[3,3]CH)	H(CC[3,3]CH)	C(C[3,3]Nb[6x3]C[3,3]2)(CH3)(H)2	H(CC[3,3]CH)	H(CC[3,3]CH)	107.7970	0.000	1	107.7970	0.000	1	107.8535	0.006	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,3]Nb[6x3]C[3,3]N[3])(CH3)(H)2	H(CC[3,3]CH)	H(CC[3,3]CH)	C(C[3,3]Nb[6x3]C[3,3]N[3])(CH3)(H)2	H(CC[3,3]CH)	H(CC[3,3]CH)	107.9100	0.000	1	107.9100	0.000	1	107.8535	0.006	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,5,5]C[3,5]2C[5,5])(CH3)(H)2	H(CC[3,5,5]CH)	H(CC[3,5,5]CH)	C(C[3,5,5]C[3,5]2C[5,5])(CH3)(H)2	H(CC[3,5,5]CH)	H(CC[3,5,5]CH)	107.5420	0.000	1	107.5420	0.000	1	107.5420	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(CH3)(H)2	H(CC[3,5,6]CH)	H(CC[3,5,6]CH)	C(C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(CH3)(H)2	H(CC[3,5,6]CH)	H(CC[3,5,6]CH)	107.7010	0.000	1	107.7010	0.000	1	106.4160	14.811	7	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,5,6]C[3,5,6]C[5,5,6]C[3])(CCHH)(H)2	H(CC[3,5,6]CH)	H(CC[3,5,6]CH)	C(C[3,5,6]C[3,5,6]C[5,5,6]C[3])(CCHH)(H)2	H(CC[3,5,6]CH)	H(CC[3,5,6]CH)	97.7290	0.000	1	97.7290	0.000	1	106.4160	14.811	7	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,5,6]C[3,5,6]C[5,5,6]O[3])(CBrHH)(H)2	H(CC[3,5,6]CH)	H(CC[3,5,6]CH)	C(C[3,5,6]C[3,5,6]C[5,5,6]O[3])(CBrHH)(H)2	H(CC[3,5,6]CH)	H(CC[3,5,6]CH)	107.8964	0.446	5	107.8964	0.199	5	106.4160	14.811	7	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(CH3)(H)2	H(CC[3,5]CH)	H(CC[3,5]CH)	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(CH3)(H)2	H(CC[3,5]CH)	H(CC[3,5]CH)	107.7215	0.120	2	107.7215	0.014	2	107.6937	0.141	18	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5,6]C[3,6]C[5])(CHHO)(H)2	H(CC[3,5]CH)	H(CC[3,5]CH)	C(C[3,5]C[3,5,6]C[3,6]C[5])(CHHO)(H)2	H(CC[3,5]CH)	H(CC[3,5]CH)	107.8070	0.000	1	107.8070	0.000	1	107.6937	0.141	18	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5,6]C[5,6a]C[3,6])(CN[5]HH)(H)2	H(CC[3,5]CH)	H(CC[3,5]CH)	C(C[3,5]C[3,5,6]C[5,6a]C[3,6])(CN[5]HH)(H)2	H(CC[3,5]CH)	H(CC[3,5]CH)	106.8670	0.000	1	106.8670	0.000	1	107.6937	0.141	18	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5]C[3]C[5])(CCHH)(H)2	H(CC[3,5]CH)	H(CC[3,5]CH)	C(C[3,5]C[3,5]C[3]C[5])(CCHH)(H)2	H(CC[3,5]CH)	H(CC[3,5]CH)	107.7270	0.000	1	107.7270	0.000	1	107.6937	0.141	18	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5]C[3]C[5])(CC[6a]HH)(H)2	H(CC[3,5]CH)	H(CC[3,5]CH)	C(C[3,5]C[3,5]C[3]C[5])(CC[6a]HH)(H)2	H(CC[3,5]CH)	H(CC[3,5]CH)	107.1190	0.000	1	107.1190	0.000	1	107.6937	0.141	18	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5]C[5]O[3])(CCCH)(H)2	H(CC[3,5]CH)	H(CC[3,5]CH)	C(C[3,5]C[3,5]C[5]O[3])(CCCH)(H)2	H(CC[3,5]CH)	H(CC[3,5]CH)	107.8963	0.526	3	107.8963	0.277	3	107.6937	0.141	18	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(H)2	H(CC[3,5]CH)	H(CC[3,5]CH)	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(H)2	H(CC[3,5]CH)	H(CC[3,5]CH)	107.8972	0.206	6	107.8972	0.043	6	107.6937	0.141	18	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5]C[5]O[3])(CC[3]CH)(H)2	H(CC[3,5]CH)	H(CC[3,5]CH)	C(C[3,5]C[3,5]C[5]O[3])(CC[3]CH)(H)2	H(CC[3,5]CH)	H(CC[3,5]CH)	107.3705	0.047	2	107.3705	0.002	2	107.6937	0.141	18	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5]C[5]O[3])(CC[5]HO)(H)2	H(CC[3,5]CH)	H(CC[3,5]CH)	C(C[3,5]C[3,5]C[5]O[3])(CC[5]HO)(H)2	H(CC[3,5]CH)	H(CC[3,5]CH)	107.7100	0.000	1	107.7100	0.000	1	107.6937	0.141	18	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5]C[3]C[5])(C[5]O[5]2C)(H)2	H(CC[3,5]C[5]H)	H(CC[3,5]C[5]H)	C(C[3,5]C[3,5]C[3]C[5])(C[5]O[5]2C)(H)2	H(CC[3,5]C[5]H)	H(CC[3,5]C[5]H)	107.5760	0.000	2	107.5760	0.000	2	107.5760	0.000	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6,6]C[3]C[6])(CCHH)(H)2	H(CC[3,6]CH)	H(CC[3,6]CH)	C(C[3,6]C[3,6,6]C[3]C[6])(CCHH)(H)2	H(CC[3,6]CH)	H(CC[3,6]CH)	107.7550	0.000	1	107.7550	0.000	1	107.5903	0.347	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6,6]C[5,6]C[3])(CCHH)(H)2	H(CC[3,6]CH)	H(CC[3,6]CH)	C(C[3,6]C[3,6,6]C[5,6]C[3])(CCHH)(H)2	H(CC[3,6]CH)	H(CC[3,6]CH)	107.2100	0.000	1	107.2100	0.000	1	107.5903	0.347	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[3]C[6])(CCl3)(H)2	H(CC[3,6]CH)	H(CC[3,6]CH)	C(C[3,6]C[3,6]C[3]C[6])(CCl3)(H)2	H(CC[3,6]CH)	H(CC[3,6]CH)	107.2140	0.000	1	107.2140	0.000	1	107.5903	0.347	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[3]C[6])(CHHN)(H)2	H(CC[3,6]CH)	H(CC[3,6]CH)	C(C[3,6]C[3,6]C[3]C[6])(CHHN)(H)2	H(CC[3,6]CH)	H(CC[3,6]CH)	107.1440	0.000	1	107.1440	0.000	1	107.5903	0.347	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[3]C[6])(CHHO)(H)2	H(CC[3,6]CH)	H(CC[3,6]CH)	C(C[3,6]C[3,6]C[3]C[6])(CHHO)(H)2	H(CC[3,6]CH)	H(CC[3,6]CH)	107.5255	0.001	2	107.5255	0.000	2	107.5903	0.347	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[3]P[6])(CH3)(H)2	H(CC[3,6]CH)	H(CC[3,6]CH)	C(C[3,6]C[3,6]C[3]P[6])(CH3)(H)2	H(CC[3,6]CH)	H(CC[3,6]CH)	109.3910	0.000	1	109.3910	0.000	1	107.5903	0.347	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[5,6]O[3])(CCHH)(H)2	H(CC[3,6]CH)	H(CC[3,6]CH)	C(C[3,6]C[3,6]C[5,6]O[3])(CCHH)(H)2	H(CC[3,6]CH)	H(CC[3,6]CH)	107.5623	0.359	3	107.5623	0.129	3	107.5903	0.347	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[6]N[3])(CCHH)(H)2	H(CC[3,6]CH)	H(CC[3,6]CH)	C(C[3,6]C[3,6]C[6]N[3])(CCHH)(H)2	H(CC[3,6]CH)	H(CC[3,6]CH)	108.1150	0.000	1	108.1150	0.000	1	107.5903	0.347	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[6]O[3])(CCCH)(H)2	H(CC[3,6]CH)	H(CC[3,6]CH)	C(C[3,6]C[3,6]C[6]O[3])(CCCH)(H)2	H(CC[3,6]CH)	H(CC[3,6]CH)	107.1335	0.173	2	107.1335	0.030	2	107.5903	0.347	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[6]O[3])(CCHO)(H)2	H(CC[3,6]CH)	H(CC[3,6]CH)	C(C[3,6]C[3,6]C[6]O[3])(CCHO)(H)2	H(CC[3,6]CH)	H(CC[3,6]CH)	107.7550	0.000	1	107.7550	0.000	1	107.5903	0.347	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[6]O[3])(CC[6]HH)(H)2	H(CC[3,6]CH)	H(CC[3,6]CH)	C(C[3,6]C[3,6]C[6]O[3])(CC[6]HH)(H)2	H(CC[3,6]CH)	H(CC[3,6]CH)	106.9890	0.000	1	106.9890	0.000	1	107.5903	0.347	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,6]C[3,6]C[6]O[3])(CH3)(H)2	H(CC[3,6]CH)	H(CC[3,6]CH)	C(C[3,6]C[3,6]C[6]O[3])(CH3)(H)2	H(CC[3,6]CH)	H(CC[3,6]CH)	107.8670	0.000	1	107.8670	0.000	1	107.5903	0.347	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:B-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]P[3]H)(BC[6a]3)(H)2	H(CC[3]BH)	H(CC[3]BH)	C(C[3]C[3]P[3]H)(BC[6a]3)(H)2	H(CC[3]BH)	H(CC[3]BH)	107.6370	0.000	1	107.6370	0.000	1	107.6370	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,3]C[3]N[5])(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3,3]C[3]N[5])(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.5910	0.000	1	107.5910	0.000	1	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,3]N[3]H)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3,3]N[3]H)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.8470	0.000	1	107.8470	0.000	1	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,5,6,6]2C)(CH3)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3,5,6,6]2C)(CH3)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.9240	0.000	1	107.9240	0.000	1	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,5,6,6]2C[6a])(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3,5,6,6]2C[6a])(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.3948	0.434	10	107.3948	0.188	10	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,5]2C)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3,5]2C)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.6940	0.000	1	107.6940	0.000	1	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,5]2H)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3,5]2H)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	109.4853	0.100	3	109.4853	0.010	3	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,5]C[3]C)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3,5]C[3]C)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.6400	0.000	1	107.6400	0.000	1	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,5]O[3]C)(CC[5]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3,5]O[3]C)(CC[5]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.0564	0.212	7	107.0564	0.045	7	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,6]2C)(CC[6]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3,6]2C)(CC[6]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	106.9610	0.000	1	106.9610	0.000	1	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,6]2H)(CH3)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3,6]2H)(CH3)(H)2	H(CC[3]CH)	H(CC[3]CH)	108.8040	0.000	1	108.8040	0.000	1	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,6]C[3]C)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3,6]C[3]C)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.9160	0.392	37	107.9160	0.154	37	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,6]O[3]C)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3,6]O[3]C)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.0373	0.796	4	107.0373	0.633	4	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2C)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2C)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.7160	0.653	12	107.7160	0.426	12	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2C)(CC[5]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2C)(CC[5]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.9468	0.340	4	107.9468	0.115	4	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2C)(CH3)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2C)(CH3)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.6072	0.381	8	107.6072	0.145	8	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2C)(CHHO)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2C)(CHHO)(H)2	H(CC[3]CH)	H(CC[3]CH)	110.0840	0.000	1	110.0840	0.000	1	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2C[6])(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2C[6])(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	109.4365	0.042	2	109.4365	0.002	2	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(CC3)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2H)(CC3)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.4200	0.198	4	107.4200	0.039	4	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(CCCH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2H)(CCCH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.0320	0.303	9	107.0320	0.092	9	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2H)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.9278	0.581	21	107.9278	0.338	21	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(CCHO)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2H)(CCHO)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.6860	0.290	5	107.6860	0.084	5	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(CC[3]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2H)(CC[3]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.6875	0.293	2	107.6875	0.086	2	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(CC[5]CH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2H)(CC[5]CH)(H)2	H(CC[3]CH)	H(CC[3]CH)	106.9064	0.175	7	106.9064	0.031	7	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(CC[5]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2H)(CC[5]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.9430	0.068	2	107.9430	0.005	2	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(CC[6]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2H)(CC[6]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.9600	0.249	2	107.9600	0.062	2	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(CC[6a]HO)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2H)(CC[6a]HO)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.8835	0.021	2	107.8835	0.000	2	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(CH3)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2H)(CH3)(H)2	H(CC[3]CH)	H(CC[3]CH)	108.0020	0.207	3	108.0020	0.043	3	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(CHHO)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2H)(CHHO)(H)2	H(CC[3]CH)	H(CC[3]CH)	110.8885	4.998	6	110.8885	24.978	6	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(CN[5]CH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2H)(CN[5]CH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.6490	0.000	1	107.6490	0.000	1	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2N[6])(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2N[6])(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	106.7590	0.000	1	106.7590	0.000	1	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2O)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2O)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	109.4320	0.006	2	109.4320	0.000	2	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2Se)(CC[6a]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]2Se)(CC[6a]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.3590	0.000	1	107.3590	0.000	1	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]C[6]O[3])(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]C[6]O[3])(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	108.3083	1.541	3	108.3083	2.375	3	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]C[6]O[3])(CH3)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]C[6]O[3])(CH3)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.1710	0.000	1	107.1710	0.000	1	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]N[3]C)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]N[3]C)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.7490	0.467	2	107.7490	0.218	2	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]N[3]C)(CC[4]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]N[3]C)(CC[4]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.8340	0.000	1	107.8340	0.000	1	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]N[3]C)(CH3)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]N[3]C)(CH3)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.9760	0.156	6	107.9760	0.024	6	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]N[3]H)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]N[3]H)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.8377	0.476	3	107.8377	0.227	3	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]N[3]H)(CCHO)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]N[3]H)(CCHO)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.8795	0.095	2	107.8795	0.009	2	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]N[3]H)(CC[3]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]N[3]H)(CC[3]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.6855	0.443	2	107.6855	0.197	2	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]N[3]H)(CC[6a]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]N[3]H)(CC[6a]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	108.2750	0.000	1	108.2750	0.000	1	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]C)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]O[3]C)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.8790	0.323	48	107.8790	0.104	48	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]C)(CCHO)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]O[3]C)(CCHO)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.7627	0.156	3	107.7627	0.024	3	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]C)(CC[3]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]O[3]C)(CC[3]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.6781	0.144	25	107.6781	0.021	25	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]C)(CC[4]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]O[3]C)(CC[4]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.8450	0.000	1	107.8450	0.000	1	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]C)(CC[5]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]O[3]C)(CC[5]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.3275	0.177	2	107.3275	0.032	2	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]C)(CC[5]HO)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]O[3]C)(CC[5]HO)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.0025	0.177	2	107.0025	0.032	2	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]C)(CC[6]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]O[3]C)(CC[6]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.4300	0.000	1	107.4300	0.000	1	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(CC3)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CC3)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.8060	0.000	1	107.8060	0.000	1	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(CCCH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CCCH)(H)2	H(CC[3]CH)	H(CC[3]CH)	108.0870	0.000	1	108.0870	0.000	1	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(CCCO)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CCCO)(H)2	H(CC[3]CH)	H(CC[3]CH)	106.4990	0.000	1	106.4990	0.000	1	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	108.0751	0.766	35	108.0751	0.587	35	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(CCHO)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CCHO)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.8030	0.397	5	107.8030	0.157	5	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(CC[3,5]CH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CC[3,5]CH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.6420	0.000	1	107.6420	0.000	1	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(CC[3]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CC[3]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.8709	0.276	20	107.8709	0.076	20	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(CC[5,6]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CC[5,6]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.5160	0.260	2	107.5160	0.068	2	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(CC[5]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CC[5]HH)(H)2	H(CC[3]CH)	H(CC[3]CH)	108.0100	0.000	1	108.0100	0.000	1	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(CC[6]CO)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CC[6]CO)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.4330	0.000	1	107.4330	0.000	1	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(CClCH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CClCH)(H)2	H(CC[3]CH)	H(CC[3]CH)	114.9410	0.000	1	114.9410	0.000	1	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(CH3)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CH3)(H)2	H(CC[3]CH)	H(CC[3]CH)	108.1555	0.232	4	108.1555	0.054	4	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(CSiHS)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CSiHS)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.5400	0.000	1	107.5400	0.000	1	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[6a]C[3]2)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[6a]C[3]2)(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.8230	0.000	1	107.8230	0.000	1	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[6a]C[3]O[3])(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[6a]C[3]O[3])(CCHH)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.6130	0.000	1	107.6130	0.000	1	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[6a]C[3]O[3])(CH3)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[6a]C[3]O[3])(CH3)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.3860	0.000	1	107.3860	0.000	1	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[6a]C[3]O[3])(CHHO)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[6a]C[3]O[3])(CHHO)(H)2	H(CC[3]CH)	H(CC[3]CH)	107.6945	0.070	2	107.6945	0.005	2	107.8756	1.008	345	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C[3]-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2C)2(H)2	H(CC[3]2H)	H(CC[3]2H)	C(C[3]C[3]2C)2(H)2	H(CC[3]2H)	H(CC[3]2H)	107.0240	0.211	3	107.0240	0.045	3	107.4128	0.123	12	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C[3]-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]C)(C[3]C[3]O[3]H)(H)2	H(CC[3]2H)	H(CC[3]2H)	C(C[3]C[3]O[3]C)(C[3]C[3]O[3]H)(H)2	H(CC[3]2H)	H(CC[3]2H)	107.7987	0.192	4	107.7987	0.037	4	107.4128	0.123	12	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C[3]-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]C)2(H)2	H(CC[3]2H)	H(CC[3]2H)	C(C[3]C[3]O[3]C)2(H)2	H(CC[3]2H)	H(CC[3]2H)	107.3372	0.139	5	107.3372	0.019	5	107.4128	0.123	12	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	H(CC[3]C[5]H)	H(CC[3]C[5]H)	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	H(CC[3]C[5]H)	H(CC[3]C[5]H)	107.5766	0.165	5	107.5766	0.027	5	107.5501	0.076	13	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(C[5]C[5]2C)(H)2	H(CC[3]C[5]H)	H(CC[3]C[5]H)	C(C[3]C[3]O[3]H)(C[5]C[5]2C)(H)2	H(CC[3]C[5]H)	H(CC[3]C[5]H)	107.4300	0.000	1	107.4300	0.000	1	107.5501	0.076	13	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(H)2	H(CC[3]C[5]H)	H(CC[3]C[5]H)	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(H)2	H(CC[3]C[5]H)	H(CC[3]C[5]H)	107.7175	0.042	2	107.7175	0.002	2	107.5501	0.076	13	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(C[5]C[5]O[5]C)(H)2	H(CC[3]C[5]H)	H(CC[3]C[5]H)	C(C[3]C[3]O[3]H)(C[5]C[5]O[5]C)(H)2	H(CC[3]C[5]H)	H(CC[3]C[5]H)	107.6497	0.038	3	107.6497	0.001	3	107.5501	0.076	13	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(C[5]C[5]S[5]H)(H)2	H(CC[3]C[5]H)	H(CC[3]C[5]H)	C(C[3]C[3]O[3]H)(C[5]C[5]S[5]H)(H)2	H(CC[3]C[5]H)	H(CC[3]C[5]H)	106.7340	0.000	1	106.7340	0.000	1	107.5501	0.076	13	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[6a]C[3]N[3])(C[5]N[5]2C)(H)2	H(CC[3]C[5]H)	H(CC[3]C[5]H)	C(C[3]C[6a]C[3]N[3])(C[5]N[5]2C)(H)2	H(CC[3]C[5]H)	H(CC[3]C[5]H)	107.7200	0.000	1	107.7200	0.000	1	107.5501	0.076	13	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,5]O[3]H)(C[6]C[6]2H)(H)2	H(CC[3]C[6]H)	H(CC[3]C[6]H)	C(C[3]C[3,5]O[3]H)(C[6]C[6]2H)(H)2	H(CC[3]C[6]H)	H(CC[3]C[6]H)	107.4350	0.000	2	107.4350	0.000	2	107.6350	0.152	7	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,6]O[3]H)(C[6]C[6]2H)(H)2	H(CC[3]C[6]H)	H(CC[3]C[6]H)	C(C[3]C[3,6]O[3]H)(C[6]C[6]2H)(H)2	H(CC[3]C[6]H)	H(CC[3]C[6]H)	107.0170	0.000	1	107.0170	0.000	1	107.6350	0.152	7	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]N[3]H)(C[6]C[6]2H)(H)2	H(CC[3]C[6]H)	H(CC[3]C[6]H)	C(C[3]C[3]N[3]H)(C[6]C[6]2H)(H)2	H(CC[3]C[6]H)	H(CC[3]C[6]H)	107.6220	0.000	1	107.6220	0.000	1	107.6350	0.152	7	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]C)(C[6]C[6]O[6]H)(H)2	H(CC[3]C[6]H)	H(CC[3]C[6]H)	C(C[3]C[3]O[3]C)(C[6]C[6]O[6]H)(H)2	H(CC[3]C[6]H)	H(CC[3]C[6]H)	108.2260	0.000	1	108.2260	0.000	1	107.6350	0.152	7	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(C[6]C[6]2H)(H)2	H(CC[3]C[6]H)	H(CC[3]C[6]H)	C(C[3]C[3]O[3]H)(C[6]C[6]2H)(H)2	H(CC[3]C[6]H)	H(CC[3]C[6]H)	107.8550	0.042	2	107.8550	0.002	2	107.6350	0.152	7	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,5]2H)(NCCH)(H)2	H(CC[3]HN)	H(CC[3]HN)	C(C[3]C[3,5]2H)(NCCH)(H)2	H(CC[3]HN)	H(CC[3]HN)	107.6820	0.000	1	107.6820	0.000	1	107.6820	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[3]B[3,3]2H)(PC[6a]2H)(H)2	H(CC[3]HP)	H(CC[3]HP)	C(C[3]B[3,3]2H)(PC[6a]2H)(H)2	H(CC[3]HP)	H(CC[3]HP)	108.6490	0.000	1	108.6490	0.000	1	107.7810	0.566	3	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2H)(PRhCC)(H)2	H(CC[3]HP)	H(CC[3]HP)	C(C[3]C[3]2H)(PRhCC)(H)2	H(CC[3]HP)	H(CC[3]HP)	107.3470	0.040	2	107.3470	0.002	2	107.7810	0.566	3	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]S[3]H)(SC[6a]OO)(H)2	H(CC[3]HS)	H(CC[3]HS)	C(C[3]C[3]S[3]H)(SC[6a]OO)(H)2	H(CC[3]HS)	H(CC[3]HS)	107.8838	0.169	5	107.8838	0.029	5	107.8838	0.029	5	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3x5,6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(CCHH)(H)2	H(CC[3x5,6,6]CH)	H(CC[3x5,6,6]CH)	C(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(CCHH)(H)2	H(CC[3x5,6,6]CH)	H(CC[3x5,6,6]CH)	107.2990	0.000	1	107.2990	0.000	1	107.2990	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(CHHO)(H)2	H(CC[3x5,6]CH)	H(CC[3x5,6]CH)	C(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(CHHO)(H)2	H(CC[3x5,6]CH)	H(CC[3x5,6]CH)	107.7170	0.000	1	107.7170	0.000	1	108.6260	1.653	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x5,6]C[5,5,6]2N[5,5,6])(CCHH)(H)2	H(CC[3x5,6]CH)	H(CC[3x5,6]CH)	C(C[3x5,6]C[5,5,6]2N[5,5,6])(CCHH)(H)2	H(CC[3x5,6]CH)	H(CC[3x5,6]CH)	109.5350	0.000	1	109.5350	0.000	1	108.6260	1.653	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x5]C[5,5]3)(CC[5]HO)(H)2	H(CC[3x5]CH)	H(CC[3x5]CH)	C(C[3x5]C[5,5]3)(CC[5]HO)(H)2	H(CC[3x5]CH)	H(CC[3x5]CH)	107.0855	0.019	2	107.0855	0.000	2	107.0855	0.000	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[3x6]C[4x6]C[6])(CH3)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	C(C[3x6]C[3x6]C[4x6]C[6])(CH3)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	107.1790	0.000	1	107.1790	0.000	1	107.6268	0.463	55	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[3x6]C[6,6]2)(CHHO)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	C(C[3x6]C[3x6]C[6,6]2)(CHHO)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	107.0780	0.320	2	107.0780	0.102	2	107.6268	0.463	55	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[3x6]O[6,6]2)(CH3)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	C(C[3x6]C[3x6]O[6,6]2)(CH3)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	107.6590	0.000	1	107.6590	0.000	1	107.6268	0.463	55	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[4x6]C[6,6]C[6])(CCHH)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	C(C[3x6]C[4x6]C[6,6]C[6])(CCHH)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	106.8730	0.000	1	106.8730	0.000	1	107.6268	0.463	55	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[4x6]C[6,6]O[6])(CCHH)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	C(C[3x6]C[4x6]C[6,6]O[6])(CCHH)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	107.7130	0.000	1	107.7130	0.000	1	107.6268	0.463	55	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[5,4x6]C[6,6]C[6])(CC[6]HH)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	C(C[3x6]C[5,4x6]C[6,6]C[6])(CC[6]HH)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	107.2000	0.000	1	107.2000	0.000	1	107.6268	0.463	55	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[5,6,6]C[6,6]2)(CCHH)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	C(C[3x6]C[5,6,6]C[6,6]2)(CCHH)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	108.0460	0.000	1	108.0460	0.000	1	107.6268	0.463	55	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	108.5605	1.189	8	108.5605	1.414	8	107.6268	0.463	55	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6,6a]3)(CCHH)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	C(C[3x6]C[6,6,6a]3)(CCHH)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	107.1905	0.170	4	107.1905	0.029	4	107.6268	0.463	55	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]2O[6,6])(CC[6]HH)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	C(C[3x6]C[6,6]2O[6,6])(CC[6]HH)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	107.5190	0.000	1	107.5190	0.000	1	107.6268	0.463	55	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]3)(CCCH)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	C(C[3x6]C[6,6]3)(CCCH)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	107.4450	0.000	1	107.4450	0.000	1	107.6268	0.463	55	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]3)(CCHH)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	C(C[3x6]C[6,6]3)(CCHH)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	107.7027	0.855	7	107.7027	0.731	7	107.6268	0.463	55	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	C(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	107.4647	0.144	3	107.4647	0.021	3	107.6268	0.463	55	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]3)(CC[6a]HO)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	C(C[3x6]C[6,6]3)(CC[6a]HO)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	107.0160	0.000	1	107.0160	0.000	1	107.6268	0.463	55	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]3)(CH3)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	C(C[3x6]C[6,6]3)(CH3)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	107.4872	0.065	14	107.4872	0.004	14	107.6268	0.463	55	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]N[6,6]2)(CH3)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	C(C[3x6]C[6,6]N[6,6]2)(CH3)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	107.5670	0.000	1	107.5670	0.000	1	107.6268	0.463	55	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]O[6,6]2)(CH3)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	C(C[3x6]C[6,6]O[6,6]2)(CH3)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	107.5903	0.046	3	107.5903	0.002	3	107.6268	0.463	55	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]O[6,6]P[6,6])(CH3)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	C(C[3x6]C[6,6]O[6,6]P[6,6])(CH3)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	107.6105	0.037	2	107.6105	0.001	2	107.6268	0.463	55	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x6]Ga[6,6]3)(CCHH)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	C(C[3x6]Ga[6,6]3)(CCHH)(H)2	H(CC[3x6]CH)	H(CC[3x6]CH)	107.3645	0.011	2	107.3645	0.000	2	107.6268	0.463	55	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3x6]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]3)(NPtHH)(H)2	H(CC[3x6]HN)	H(CC[3x6]HN)	C(C[3x6]C[6,6]3)(NPtHH)(H)2	H(CC[3x6]HN)	H(CC[3x6]HN)	107.4465	0.043	2	107.4465	0.002	2	107.4465	0.002	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[3x6]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[3x6]C[6,6]3)(PIrCC)(H)2	H(CC[3x6]HP)	H(CC[3x6]HP)	C(C[3x6]C[6,6]3)(PIrCC)(H)2	H(CC[3x6]HP)	H(CC[3x6]HP)	106.7309	0.663	8	106.7309	0.440	8	106.7309	0.440	8	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4,3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4,3x6]C[4,3x6]C[4,6]C[4x6])(CCHH)(H)2	H(CC[4,3x6]CH)	H(CC[4,3x6]CH)	C(C[4,3x6]C[4,3x6]C[4,6]C[4x6])(CCHH)(H)2	H(CC[4,3x6]CH)	H(CC[4,3x6]CH)	108.3235	1.705	2	108.3235	2.906	2	107.6780	1.525	4	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4,3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4,3x6]C[4,6,6]C[3x6]C[4,6])(CCHH)(H)2	H(CC[4,3x6]CH)	H(CC[4,3x6]CH)	C(C[4,3x6]C[4,6,6]C[3x6]C[4,6])(CCHH)(H)2	H(CC[4,3x6]CH)	H(CC[4,3x6]CH)	107.0325	0.036	2	107.0325	0.001	2	107.6780	1.525	4	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4,4,4x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4,4,4x6]C[4,4,4x6]C[3x4,6]C[4,4x6])(CC[6a]HH)(H)2	H(CC[4,4,4x6]CH)	H(CC[4,4,4x6]CH)	C(C[4,4,4x6]C[4,4,4x6]C[3x4,6]C[4,4x6])(CC[6a]HH)(H)2	H(CC[4,4,4x6]CH)	H(CC[4,4,4x6]CH)	106.9590	0.000	1	106.9590	0.000	1	106.9590	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4,5,5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4,5,5,6]C[4,5,5,6]C[4,3x5]C[5,6])(CCHH)(H)2	H(CC[4,5,5,6]CH)	H(CC[4,5,5,6]CH)	C(C[4,5,5,6]C[4,5,5,6]C[4,3x5]C[5,6])(CCHH)(H)2	H(CC[4,5,5,6]CH)	H(CC[4,5,5,6]CH)	104.5950	0.000	1	104.5950	0.000	1	104.5950	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[4,5]2C[5])(CCHH)(H)2	H(CC[4,5]CH)	H(CC[4,5]CH)	C(C[4,5]C[4,5]2C[5])(CCHH)(H)2	H(CC[4,5]CH)	H(CC[4,5]CH)	107.0433	0.633	4	107.0433	0.401	4	107.8570	7.864	11	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[4,5]C[4,6]N[5])(CCCH)(H)2	H(CC[4,5]CH)	H(CC[4,5]CH)	C(C[4,5]C[4,5]C[4,6]N[5])(CCCH)(H)2	H(CC[4,5]CH)	H(CC[4,5]CH)	107.3870	0.000	1	107.3870	0.000	1	107.8570	7.864	11	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[4,5]C[4]C[5])(CHHO)(H)2	H(CC[4,5]CH)	H(CC[4,5]CH)	C(C[4,5]C[4,5]C[4]C[5])(CHHO)(H)2	H(CC[4,5]CH)	H(CC[4,5]CH)	107.4780	0.000	1	107.4780	0.000	1	107.8570	7.864	11	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[4,5]C[4]N[5])(CCCH)(H)2	H(CC[4,5]CH)	H(CC[4,5]CH)	C(C[4,5]C[4,5]C[4]N[5])(CCCH)(H)2	H(CC[4,5]CH)	H(CC[4,5]CH)	106.1615	1.754	2	106.1615	3.078	2	107.8570	7.864	11	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[4,5]C[4]O[5])(CCHH)(H)2	H(CC[4,5]CH)	H(CC[4,5]CH)	C(C[4,5]C[4,5]C[4]O[5])(CCHH)(H)2	H(CC[4,5]CH)	H(CC[4,5]CH)	107.6640	0.000	1	107.6640	0.000	1	107.8570	7.864	11	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4,5]C[4,5]C[5]O[4])(CH3)(H)2	H(CC[4,5]CH)	H(CC[4,5]CH)	C(C[4,5]C[4,5]C[5]O[4])(CH3)(H)2	H(CC[4,5]CH)	H(CC[4,5]CH)	111.7010	6.001	2	111.7010	36.006	2	107.8570	7.864	11	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4,6,6]C[4,6]C[6,6]O[4,6])(CH3)(H)2	H(CC[4,6,6]CH)	H(CC[4,6,6]CH)	C(C[4,6,6]C[4,6]C[6,6]O[4,6])(CH3)(H)2	H(CC[4,6,6]CH)	H(CC[4,6,6]CH)	107.8870	0.000	1	107.8870	0.000	1	107.8870	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4,6]C[4,6,6]2C)(CCHH)(H)2	H(CC[4,6]CH)	H(CC[4,6]CH)	C(C[4,6]C[4,6,6]2C)(CCHH)(H)2	H(CC[4,6]CH)	H(CC[4,6]CH)	107.6260	0.000	1	107.6260	0.000	1	107.6784	0.062	12	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4,6]C[4,6,6]2O)(CCHH)(H)2	H(CC[4,6]CH)	H(CC[4,6]CH)	C(C[4,6]C[4,6,6]2O)(CCHH)(H)2	H(CC[4,6]CH)	H(CC[4,6]CH)	107.1570	0.000	1	107.1570	0.000	1	107.6784	0.062	12	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4,6]C[4,6]2C[6])(CC[6a]HH)(H)2	H(CC[4,6]CH)	H(CC[4,6]CH)	C(C[4,6]C[4,6]2C[6])(CC[6a]HH)(H)2	H(CC[4,6]CH)	H(CC[4,6]CH)	107.5850	0.000	1	107.5850	0.000	1	107.6784	0.062	12	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4,6]C[4,6]2N[6])(CH3)(H)2	H(CC[4,6]CH)	H(CC[4,6]CH)	C(C[4,6]C[4,6]2N[6])(CH3)(H)2	H(CC[4,6]CH)	H(CC[4,6]CH)	107.8514	0.076	7	107.8514	0.006	7	107.6784	0.062	12	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4,6]C[6,6a]C[4,6]C[4])(CH3)(H)2	H(CC[4,6]CH)	H(CC[4,6]CH)	C(C[4,6]C[6,6a]C[4,6]C[4])(CH3)(H)2	H(CC[4,6]CH)	H(CC[4,6]CH)	107.4065	0.033	2	107.4065	0.001	2	107.6784	0.062	12	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]B[4]C[4]H)(CC[6a]HH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]B[4]C[4]H)(CC[6a]HH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.9930	0.000	1	107.9930	0.000	1	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]B[4]C[4]Rh)(CH3)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]B[4]C[4]Rh)(CH3)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.8805	0.098	2	107.8805	0.010	2	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[3,4]C[4]H)(CC[3x6]HN)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[3,4]C[4]H)(CC[3x6]HN)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.7520	0.000	1	107.7520	0.000	1	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,4]C[4]H)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4,4]C[4]H)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.6520	0.042	3	107.6520	0.002	3	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,5]B[4]H)(CN[6]HH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4,5]B[4]H)(CN[6]HH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.7200	0.000	1	107.7200	0.000	1	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,5]C[4,6]C)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4,5]C[4,6]C)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.4010	0.000	1	107.4010	0.000	1	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,5]C[4]C)(CH3)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4,5]C[4]C)(CH3)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.6025	0.132	8	107.6025	0.017	8	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,5]C[4]H)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4,5]C[4]H)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.7600	0.060	3	107.7600	0.004	3	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,5]C[4]H)(CC[6a]HH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4,5]C[4]H)(CC[6a]HH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.0853	0.441	4	107.0853	0.195	4	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,5]C[6a]C[4])(CH3)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4,5]C[6a]C[4])(CH3)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.9640	0.000	1	107.9640	0.000	1	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,5]S[4]H)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4,5]S[4]H)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.9250	0.000	1	107.9250	0.000	1	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6,6]C[4]H)(CC[6]HH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4,6,6]C[4]H)(CC[6]HH)(H)2	H(CC[4]CH)	H(CC[4]CH)	106.5330	0.000	1	106.5330	0.000	1	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6]C[4]H)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4,6]C[4]H)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.4043	1.747	9	107.4043	3.051	9	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6]C[4]H)(CH3)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4,6]C[4]H)(CH3)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.9050	0.000	1	107.9050	0.000	1	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6]C[4]O)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4,6]C[4]O)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	106.5625	0.660	4	106.5625	0.436	4	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6]C[6a]C[4])(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4,6]C[6a]C[4])(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	106.5660	0.000	1	106.5660	0.000	1	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6a]C[4]C)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4,6a]C[4]C)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.6760	0.000	1	107.6760	0.000	1	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6a]C[4]H)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4,6a]C[4]H)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.6040	0.000	1	107.6040	0.000	1	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6a]C[4]N[6])(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4,6a]C[4]N[6])(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	109.0307	0.954	4	109.0307	0.909	4	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6a]C[4]O)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4,6a]C[4]O)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	108.4805	1.339	2	108.4805	1.792	2	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6a]C[4]O)(CH3)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4,6a]C[4]O)(CH3)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.5900	0.000	1	107.5900	0.000	1	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2C)(CCCH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2C)(CCCH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.2580	0.000	1	107.2580	0.000	1	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2C)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2C)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.3830	0.000	1	107.3830	0.000	1	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2C)(CC[6]HO)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2C)(CC[6]HO)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.3390	0.000	1	107.3390	0.000	1	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2C)(CC[6a]HH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2C)(CC[6a]HH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.6260	0.000	1	107.6260	0.000	1	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2C)(CH3)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2C)(CH3)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.4322	0.392	5	107.4322	0.153	5	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2C)(CIrHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2C)(CIrHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.9650	0.120	2	107.9650	0.014	2	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2Cl)(CClCC)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2Cl)(CClCC)(H)2	H(CC[4]CH)	H(CC[4]CH)	106.9370	0.027	2	106.9370	0.001	2	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2Co)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2Co)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.2358	1.656	20	107.2358	2.741	20	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2H)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2H)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.7836	0.427	25	107.7836	0.183	25	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2H)(CC[3,5]HO)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2H)(CC[3,5]HO)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.7150	0.000	1	107.7150	0.000	1	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2H)(CC[3]HH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2H)(CC[3]HH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.4010	0.161	2	107.4010	0.026	2	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2H)(CC[4]HH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2H)(CC[4]HH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.5569	0.084	7	107.5569	0.007	7	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2H)(CC[5]HH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2H)(CC[5]HH)(H)2	H(CC[4]CH)	H(CC[4]CH)	108.0420	0.000	1	108.0420	0.000	1	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2H)(CC[6]HH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2H)(CC[6]HH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.4786	0.936	17	107.4786	0.876	17	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2H)(CH3)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2H)(CH3)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.9200	0.049	2	107.9200	0.002	2	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2H)(CHHN)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2H)(CHHN)(H)2	H(CC[4]CH)	H(CC[4]CH)	108.0720	0.000	1	108.0720	0.000	1	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2N)(CCCH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2N)(CCCH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.8540	1.213	3	107.8540	1.472	3	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2Ni)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2Ni)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.7405	0.233	2	107.7405	0.054	2	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2Ni)(CH3)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2Ni)(CH3)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.9147	0.264	18	107.9147	0.070	18	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2O)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2O)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.5900	0.103	6	107.5900	0.011	6	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2O)(CCHO)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2O)(CCHO)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.4570	0.000	1	107.4570	0.000	1	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2O)(CNiCC)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2O)(CNiCC)(H)2	H(CC[4]CH)	H(CC[4]CH)	109.5180	0.000	1	109.5180	0.000	1	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2Si)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]2Si)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	109.4070	0.000	1	109.4070	0.000	1	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]N[4]C)(CC[6a]HH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]N[4]C)(CC[6a]HH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.8160	0.000	1	107.8160	0.000	1	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]N[4]H)(CCCH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]N[4]H)(CCCH)(H)2	H(CC[4]CH)	H(CC[4]CH)	108.7545	1.529	2	108.7545	2.339	2	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]N[4]H)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]N[4]H)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.5414	0.176	14	107.5414	0.031	14	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]N[4]H)(CC[6a]HH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]N[4]H)(CC[6a]HH)(H)2	H(CC[4]CH)	H(CC[4]CH)	108.0480	0.000	1	108.0480	0.000	1	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]N[4]Rh)(CH3)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]N[4]Rh)(CH3)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.7020	0.238	2	107.7020	0.056	2	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]O[4]H)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]O[4]H)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.8235	0.394	2	107.8235	0.155	2	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]O[4]H)(CC[6a]HH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]O[4]H)(CC[6a]HH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.7450	0.000	1	107.7450	0.000	1	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]P[4]H)(CH3)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]P[4]H)(CH3)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.8554	0.125	12	107.8554	0.016	12	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]S[4]H)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[4]S[4]H)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.9390	0.000	1	107.9390	0.000	1	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[6a]C[4]2)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[6a]C[4]2)(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.4592	0.475	4	107.4592	0.225	4	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[6a]C[4]2)(CH3)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[6a]C[4]2)(CH3)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.5543	0.204	6	107.5543	0.042	6	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[6a]C[4]N[4])(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[6a]C[4]N[4])(CCHH)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.4410	0.242	4	107.4410	0.058	4	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[6a]C[4]N[4])(CCHN)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[6a]C[4]N[4])(CCHN)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.6810	0.000	1	107.6810	0.000	1	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[6a]C[4]N[4])(CC[6a]HS)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]C[6a]C[4]N[4])(CC[6a]HS)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.5910	0.225	2	107.5910	0.051	2	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4]Ge[4]2H)(CC3)(H)2	H(CC[4]CH)	H(CC[4]CH)	C(C[4]Ge[4]2H)(CC3)(H)2	H(CC[4]CH)	H(CC[4]CH)	107.0570	0.055	2	107.0570	0.003	2	107.6363	0.657	227	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,6a]C[4]H)(NCCH)(H)2	H(CC[4]HN)	H(CC[4]HN)	C(C[4]C[4,6a]C[4]H)(NCCH)(H)2	H(CC[4]HN)	H(CC[4]HN)	107.4657	0.147	4	107.4657	0.022	4	107.4657	0.022	4	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:O-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2H)(OZn3)(H)2	H(CC[4]HO)	H(CC[4]HO)	C(C[4]C[4]2H)(OZn3)(H)2	H(CC[4]HO)	H(CC[4]HO)	107.6970	0.000	1	107.6970	0.000	1	107.6970	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2H)(PC[6a]2Ru)(H)2	H(CC[4]HP)	H(CC[4]HP)	C(C[4]C[4]2H)(PC[6a]2Ru)(H)2	H(CC[4]HP)	H(CC[4]HP)	108.3600	0.000	1	108.3600	0.000	1	108.3600	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2Co)(SiC[5]CC)(H)2	H(CC[4]SiH)	H(CC[4]SiH)	C(C[4]C[4]2Co)(SiC[5]CC)(H)2	H(CC[4]SiH)	H(CC[4]SiH)	108.1057	0.092	3	108.1057	0.008	3	107.8317	0.111	6	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2H)(SiC[6a]2C)(H)2	H(CC[4]SiH)	H(CC[4]SiH)	C(C[4]C[4]2H)(SiC[6a]2C)(H)2	H(CC[4]SiH)	H(CC[4]SiH)	107.7290	0.000	1	107.7290	0.000	1	107.8317	0.111	6	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]N[4]H)(SiC[6a]2C)(H)2	H(CC[4]SiH)	H(CC[4]SiH)	C(C[4]C[4]N[4]H)(SiC[6a]2C)(H)2	H(CC[4]SiH)	H(CC[4]SiH)	107.4720	0.208	2	107.4720	0.043	2	107.8317	0.111	6	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[4x5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[4x5,6]C[4,4x5,6]C[5,5,6,6]C[5,5,6])(CCHH)(H)2	H(CC[4x5,6]CH)	H(CC[4x5,6]CH)	C(C[4x5,6]C[4,4x5,6]C[5,5,6,6]C[5,5,6])(CCHH)(H)2	H(CC[4x5,6]CH)	H(CC[4x5,6]CH)	106.8250	0.000	1	106.8250	0.000	1	106.8250	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])(CCHH)(H)2	H(CC[5,3x6]CH)	H(CC[5,3x6]CH)	C(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])(CCHH)(H)2	H(CC[5,3x6]CH)	H(CC[5,3x6]CH)	107.2420	0.044	2	107.2420	0.002	2	106.9085	0.070	6	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,3x6]C[5,6,6]2C[6,6])(CCHH)(H)2	H(CC[5,3x6]CH)	H(CC[5,3x6]CH)	C(C[5,3x6]C[5,6,6]2C[6,6])(CCHH)(H)2	H(CC[5,3x6]CH)	H(CC[5,3x6]CH)	106.7737	0.028	3	106.7737	0.001	3	106.9085	0.070	6	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,3x6]C[5,6,6]3)(CCHH)(H)2	H(CC[5,3x6]CH)	H(CC[5,3x6]CH)	C(C[5,3x6]C[5,6,6]3)(CCHH)(H)2	H(CC[5,3x6]CH)	H(CC[5,3x6]CH)	106.6460	0.000	1	106.6460	0.000	1	106.9085	0.070	6	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5,3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5,3x6]C[5,5,6,6]C[5,6,6]2)(CCHH)(H)2	H(CC[5,5,3x6]CH)	H(CC[5,5,3x6]CH)	C(C[5,5,3x6]C[5,5,6,6]C[5,6,6]2)(CCHH)(H)2	H(CC[5,5,3x6]CH)	H(CC[5,5,3x6]CH)	107.1800	0.000	1	107.1800	0.000	1	107.1800	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5,6,6]C[5,6,6]2C[3x5])(CCHH)(H)2	H(CC[5,5,6,6]CH)	H(CC[5,5,6,6]CH)	C(C[5,5,6,6]C[5,6,6]2C[3x5])(CCHH)(H)2	H(CC[5,5,6,6]CH)	H(CC[5,5,6,6]CH)	104.5690	0.000	1	104.5690	0.000	1	104.5690	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,3x6]C[5,6,6a]C[5,5])(CC[5,5,6]HH)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,3x6]C[5,6,6a]C[5,5])(CC[5,5,6]HH)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	107.2110	0.000	1	107.2110	0.000	1	107.3071	0.160	20	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6]2B[5])(CH3)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,6]2B[5])(CH3)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	107.4850	0.000	1	107.4850	0.000	1	107.3071	0.160	20	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6]2C[5])(CH3)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,6]2C[5])(CH3)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	107.3220	0.000	1	107.3220	0.000	1	107.3071	0.160	20	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6]B[5,5]C[5,6])(CH3)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,6]B[5,5]C[5,6])(CH3)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	107.3120	0.059	2	107.3120	0.004	2	107.3071	0.160	20	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(CH3)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(CH3)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	106.8050	0.823	3	106.8050	0.677	3	107.3071	0.160	20	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]S[5,5])(CCHH)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,6]C[5,6]S[5,5])(CCHH)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	107.4250	0.000	1	107.4250	0.000	1	107.3071	0.160	20	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(CN[5]HH)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(CN[5]HH)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	107.0500	0.000	2	107.0500	0.000	2	107.3071	0.160	20	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	107.3840	0.000	1	107.3840	0.000	1	107.3071	0.160	20	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6,6a]2C[5,5])(CCHH)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6,6a]2C[5,5])(CCHH)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	107.4030	0.000	1	107.4030	0.000	1	107.3071	0.160	20	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6,6a]2C[5,5])(CH3)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6,6a]2C[5,5])(CH3)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	107.3660	0.149	3	107.3660	0.022	3	107.3071	0.160	20	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(CC[6]HH)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6]2O[5,5])(CC[6]HH)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	107.4000	0.000	1	107.4000	0.000	1	107.3071	0.160	20	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(CC[6a]HH)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6]2O[5,5])(CC[6a]HH)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	107.9080	0.000	1	107.9080	0.000	1	107.3071	0.160	20	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(CH3)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6]2O[5,5])(CH3)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	107.7450	0.000	1	107.7450	0.000	1	107.3071	0.160	20	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CHHO)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CHHO)(H)2	H(CC[5,5,6]CH)	H(CC[5,5,6]CH)	107.6210	0.000	1	107.6210	0.000	1	107.3071	0.160	20	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(SNOO)(H)2	H(CC[5,5,6]HS)	H(CC[5,5,6]HS)	C(C[5,5,6]C[5,5]C[5,6]2)(SNOO)(H)2	H(CC[5,5,6]HS)	H(CC[5,5,6]HS)	107.8729	1.125	9	107.8729	1.266	9	107.1476	0.258	83	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(SN[5]OO)(H)2	H(CC[5,5,6]HS)	H(CC[5,5,6]HS)	C(C[5,5,6]C[5,5]C[5,6]2)(SN[5]OO)(H)2	H(CC[5,5,6]HS)	H(CC[5,5,6]HS)	107.0380	0.000	2	107.0380	0.000	2	107.1476	0.258	83	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(SN[5a]OO)(H)2	H(CC[5,5,6]HS)	H(CC[5,5,6]HS)	C(C[5,5,6]C[5,5]C[5,6]2)(SN[5a]OO)(H)2	H(CC[5,5,6]HS)	H(CC[5,5,6]HS)	107.2040	0.000	1	107.2040	0.000	1	107.1476	0.258	83	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(SN[6]OO)(H)2	H(CC[5,5,6]HS)	H(CC[5,5,6]HS)	C(C[5,5,6]C[5,5]C[5,6]2)(SN[6]OO)(H)2	H(CC[5,5,6]HS)	H(CC[5,5,6]HS)	107.2690	0.100	3	107.2690	0.010	3	107.1476	0.258	83	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(SO3)(H)2	H(CC[5,5,6]HS)	H(CC[5,5,6]HS)	C(C[5,5,6]C[5,5]C[5,6]2)(SO3)(H)2	H(CC[5,5,6]HS)	H(CC[5,5,6]HS)	107.0486	0.288	68	107.0486	0.083	68	107.1476	0.258	83	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[3,5,5]C[5,6a]2)(CH3)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[3,5,5]C[5,6a]2)(CH3)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.5110	0.000	1	107.5110	0.000	1	107.4757	0.080	56	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[3x5,6,6]2H)(CCHH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[3x5,6,6]2H)(CCHH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.0940	0.000	1	107.0940	0.000	1	107.4757	0.080	56	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[3x5]C[5]O[5])(CCHH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[3x5]C[5]O[5])(CCHH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.6790	0.000	1	107.6790	0.000	1	107.4757	0.080	56	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[4,5,5]C[5,5]H)(CC[6a]HO)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[4,5,5]C[5,5]H)(CC[6a]HO)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.7870	0.000	1	107.7870	0.000	1	107.4757	0.080	56	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[4,5,5]C[5]O[5])(CH3)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[4,5,5]C[5]O[5])(CH3)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.6870	0.000	1	107.6870	0.000	1	107.4757	0.080	56	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(CCHH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[5,5,6]2C)(CCHH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.4795	0.050	2	107.4795	0.003	2	107.4757	0.080	56	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6]2H)(CCHH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[5,5,6]2H)(CCHH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.8690	0.000	1	107.8690	0.000	1	107.4757	0.080	56	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6]2O)(CBrHH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[5,5,6]2O)(CBrHH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	108.0830	0.198	2	108.0830	0.039	2	107.4757	0.080	56	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6]N[5]O[5])(CCCH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[5,5,6]N[5]O[5])(CCCH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.0805	0.179	2	107.0805	0.032	2	107.4757	0.080	56	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5,6]O[5])(CCHH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5,6]O[5])(CCHH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.5150	0.000	1	107.5150	0.000	1	107.4757	0.080	56	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.6379	0.054	7	107.6379	0.003	7	107.4757	0.080	56	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(CC[5,5]HH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]2)(CC[5,5]HH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.6540	0.000	1	107.6540	0.000	1	107.4757	0.080	56	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(CH3)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]2)(CH3)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.3805	0.086	2	107.3805	0.007	2	107.4757	0.080	56	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5]N[5])(CCHH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]N[5])(CCHH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.1040	0.000	1	107.1040	0.000	1	107.4757	0.080	56	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(CCHH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]O[5])(CCHH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.6610	0.000	1	107.6610	0.000	1	107.4757	0.080	56	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(CH3)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]O[5])(CH3)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.7740	0.000	1	107.7740	0.000	1	107.4757	0.080	56	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]N[5,5]C[5])(CCCH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]N[5,5]C[5])(CCCH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.2790	0.000	1	107.2790	0.000	1	107.4757	0.080	56	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,6a]2C[3x5])(CCHH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[5,6a]2C[3x5])(CCHH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.1525	0.158	12	107.1525	0.025	12	107.4757	0.080	56	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(CBrHH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[5,6a]C[5,5]C[5])(CBrHH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.6600	0.000	1	107.6600	0.000	1	107.4757	0.080	56	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(CCHH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[5,6a]C[5,5]C[5])(CCHH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.5050	0.000	1	107.5050	0.000	1	107.4757	0.080	56	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.4963	0.101	4	107.4963	0.010	4	107.4757	0.080	56	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(CHHO)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]C[5,6a]C[5,5]C[5])(CHHO)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.4750	0.000	1	107.4750	0.000	1	107.4757	0.080	56	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]N[5,5]C[5]2)(CHHN)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]N[5,5]C[5]2)(CHHN)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	108.0510	0.000	1	108.0510	0.000	1	107.4757	0.080	56	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]N[5,5]C[5]O[5])(CC[5]HH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]N[5,5]C[5]O[5])(CC[5]HH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.8740	0.000	1	107.8740	0.000	1	107.4757	0.080	56	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]N[5,5]N[5]O[5])(CH3)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]N[5,5]N[5]O[5])(CH3)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.5820	0.094	6	107.5820	0.009	6	107.4757	0.080	56	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]O[3x5]C[5]2)(CCHH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	C(C[5,5]O[3x5]C[5]2)(CCHH)(H)2	H(CC[5,5]CH)	H(CC[5,5]CH)	107.3195	0.088	2	107.3195	0.008	2	107.4757	0.080	56	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5,6]O[5])(C[5]C[3,5]C[5]H)(H)2	H(CC[5,5]C[5]H)	H(CC[5,5]C[5]H)	C(C[5,5]C[5,5]C[5,6]O[5])(C[5]C[3,5]C[5]H)(H)2	H(CC[5,5]C[5]H)	H(CC[5,5]C[5]H)	107.7240	0.037	2	107.7240	0.001	2	107.0859	0.185	12	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5,6]O[5])(C[5]C[3,5]C[5]O)(H)2	H(CC[5,5]C[5]H)	H(CC[5,5]C[5]H)	C(C[5,5]C[5,5]C[5,6]O[5])(C[5]C[3,5]C[5]O)(H)2	H(CC[5,5]C[5]H)	H(CC[5,5]C[5]H)	107.5280	0.030	2	107.5280	0.001	2	107.0859	0.185	12	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]O[5]C)(H)2	H(CC[5,5]C[5]H)	H(CC[5,5]C[5]H)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]O[5]C)(H)2	H(CC[5,5]C[5]H)	H(CC[5,5]C[5]H)	106.9680	0.000	1	106.9680	0.000	1	107.0859	0.185	12	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]2O)(H)2	H(CC[5,5]C[5]H)	H(CC[5,5]C[5]H)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]2O)(H)2	H(CC[5,5]C[5]H)	H(CC[5,5]C[5]H)	106.8310	0.073	4	106.8310	0.005	4	107.0859	0.185	12	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	H(CC[5,5]C[5]H)	H(CC[5,5]C[5]H)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	H(CC[5,5]C[5]H)	H(CC[5,5]C[5]H)	106.7450	0.305	3	106.7450	0.093	3	107.0859	0.185	12	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(C[6]C[6]2O)(H)2	H(CC[5,5]C[6]H)	H(CC[5,5]C[6]H)	C(C[5,5]C[5,5]C[5]O[5])(C[6]C[6]2O)(H)2	H(CC[5,5]C[6]H)	H(CC[5,5]C[6]H)	106.7740	0.000	1	106.7740	0.000	1	106.6747	0.007	3	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,6a]2C[5,5])(C[6]C[6]N[6]H)(H)2	H(CC[5,5]C[6]H)	H(CC[5,5]C[6]H)	C(C[5,5]C[5,6a]2C[5,5])(C[6]C[6]N[6]H)(H)2	H(CC[5,5]C[6]H)	H(CC[5,5]C[6]H)	106.6170	0.000	1	106.6170	0.000	1	106.6747	0.007	3	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5,6])(C[6]C[6]N[6]H)(H)2	H(CC[5,5]C[6]H)	H(CC[5,5]C[6]H)	C(C[5,5]C[5,6a]C[5,5]C[5,6])(C[6]C[6]N[6]H)(H)2	H(CC[5,5]C[6]H)	H(CC[5,5]C[6]H)	106.6330	0.000	1	106.6330	0.000	1	106.6747	0.007	3	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]N[3x5]C[5]2)(NPdHH)(H)2	H(CC[5,5]HN)	H(CC[5,5]HN)	C(C[5,5]N[3x5]C[5]2)(NPdHH)(H)2	H(CC[5,5]HN)	H(CC[5,5]HN)	108.1590	0.000	1	108.1590	0.000	1	108.2835	0.031	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]N[3x5]C[5]2)(NPtHH)(H)2	H(CC[5,5]HN)	H(CC[5,5]HN)	C(C[5,5]N[3x5]C[5]2)(NPtHH)(H)2	H(CC[5,5]HN)	H(CC[5,5]HN)	108.4080	0.000	1	108.4080	0.000	1	108.2835	0.031	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(SC[6a]OO)(H)2	H(CC[5,5]HS)	H(CC[5,5]HS)	C(C[5,5]C[5,5,6]2C)(SC[6a]OO)(H)2	H(CC[5,5]HS)	H(CC[5,5]HS)	106.6670	0.000	1	106.6670	0.000	1	107.0763	0.128	3	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,5]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(SO3)(H)2	H(CC[5,5]HS)	H(CC[5,5]HS)	C(C[5,5]C[5,5,6]2C)(SO3)(H)2	H(CC[5,5]HS)	H(CC[5,5]HS)	107.2810	0.064	2	107.2810	0.004	2	107.0763	0.128	3	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[3,5,6]C[5,6]N[6,6])(CCCH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[3,5,6]C[5,6]N[6,6])(CCCH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	106.9300	0.000	1	106.9300	0.000	1	106.9799	1.794	25	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(CCHH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(CCHH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	107.7060	0.000	1	107.7060	0.000	1	106.9799	1.794	25	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(CH3)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(CH3)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	107.6116	0.131	5	107.6116	0.017	5	106.9799	1.794	25	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(CN[5]HH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(CN[5]HH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	107.3420	0.000	1	107.3420	0.000	1	106.9799	1.794	25	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,3x6]C[3x6]C[5])(CH3)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,3x6]C[3x6]C[5])(CH3)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	102.4300	0.000	1	102.4300	0.000	1	106.9799	1.794	25	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,4x6]C[3x6]O[5])(CCHH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,4x6]C[3x6]O[5])(CCHH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	107.2230	0.000	1	107.2230	0.000	1	106.9799	1.794	25	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(CH3)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(CH3)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	107.6120	0.000	1	107.6120	0.000	1	106.9799	1.794	25	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,5,6]C[5,6]C[6,6])(CCHH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,5,6]C[5,6]C[6,6])(CCHH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	105.2610	0.000	1	105.2610	0.000	1	106.9799	1.794	25	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,5,6]C[5,6]C[6,6])(CH3)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,5,6]C[5,6]C[6,6])(CH3)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	107.4030	0.052	2	107.4030	0.003	2	106.9799	1.794	25	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CCHH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CCHH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	105.9915	2.575	2	105.9915	6.628	2	106.9799	1.794	25	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CH3)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CH3)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	107.6040	0.092	2	107.6040	0.008	2	106.9799	1.794	25	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(CN[5]HH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(CN[5]HH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	104.9410	0.000	1	104.9410	0.000	1	106.9799	1.794	25	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[6,6a]C[5,6])(CN[5]HH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6,6]C[6,6a]C[5,6])(CN[5]HH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	107.8890	0.000	1	107.8890	0.000	1	106.9799	1.794	25	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[6,6])(CClHH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6,6a]2C[6,6])(CClHH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	107.8140	0.000	1	107.8140	0.000	1	106.9799	1.794	25	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6]2C[6,6])(CC[5]HO)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6]2C[6,6])(CC[5]HO)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	107.1020	0.354	2	107.1020	0.125	2	106.9799	1.794	25	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]N[5,6,6]C[3x6]C[5])(CCHH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	C(C[5,6,6]N[5,6,6]C[3x6]C[5])(CCHH)(H)2	H(CC[5,6,6]CH)	H(CC[5,6,6]CH)	107.5455	0.030	2	107.5455	0.001	2	106.9799	1.794	25	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiCCO)(H)2	H(CC[5,6,6]SiH)	H(CC[5,6,6]SiH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiCCO)(H)2	H(CC[5,6,6]SiH)	H(CC[5,6,6]SiH)	99.9270	9.440	2	99.9270	89.111	2	104.6860	25.427	7	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC[6a]CC)(H)2	H(CC[5,6,6]SiH)	H(CC[5,6,6]SiH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC[6a]CC)(H)2	H(CC[5,6,6]SiH)	H(CC[5,6,6]SiH)	106.5896	0.099	5	106.5896	0.010	5	104.6860	25.427	7	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3,5]O[5,6]N[6])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[3,5]O[5,6]N[6])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.3580	0.000	1	107.3580	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3x5,6]C[5]C[6])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[3x5,6]C[5]C[6])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.4350	0.000	1	107.4350	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[3x5,6]C[5]C[6])(CC[6]HH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[3x5,6]C[5]C[6])(CC[6]HH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.0060	0.000	1	107.0060	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]2C)(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]2C)(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.4120	0.000	1	107.4120	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(CC[3]HH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]C)(CC[3]HH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.2580	0.054	2	107.2580	0.003	2	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CCCO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CCCO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	106.2490	1.082	2	106.2490	1.170	2	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.6860	0.000	1	107.6860	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CCHN)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CCHN)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.6260	0.000	1	107.6260	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]HH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]HH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.4815	0.226	8	107.4815	0.051	8	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	104.0670	0.000	1	104.0670	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CPdCC)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CPdCC)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.9170	0.331	3	107.9170	0.110	3	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]N)(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]N)(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	105.0010	0.000	1	105.0010	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5]C[6])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.4280	0.208	8	107.4280	0.043	8	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(CH3)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5]C[6])(CH3)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.4498	0.052	5	107.4498	0.003	5	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]N[6])(CH3)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5]N[6])(CH3)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.6520	0.000	1	107.6520	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]O[5,6]C)(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]O[5,6]C)(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.6010	0.000	1	107.6010	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]O[5,6]C)(CC[4,5]HO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]O[5,6]C)(CC[4,5]HO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.0355	0.015	2	107.0355	0.000	2	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,5]C[5,6]C[6])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.2655	3.062	2	107.2655	9.379	2	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6,6]C[6]N[5])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6,6]C[6]N[5])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	106.8730	0.000	2	106.8730	0.000	2	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6,6]C[6]O[5])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6,6]C[6]O[5])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.5130	0.000	1	107.5130	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]2C[6])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.3310	0.000	1	107.3310	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]2H)(CH3)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]2H)(CH3)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.7650	0.000	1	107.7650	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]2H)(CHHO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]2H)(CHHO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.8620	0.000	1	107.8620	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]2O)(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]2O)(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.5820	0.000	1	107.5820	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]2S[5])(CH3)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]2S[5])(CH3)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.4813	0.059	4	107.4813	0.003	4	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	106.9287	1.107	9	106.9287	1.225	9	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.4485	0.257	2	107.4485	0.066	2	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	106.9664	0.197	19	106.9664	0.039	19	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CH3)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CH3)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.6560	0.668	6	107.6560	0.446	6	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[6]O[5])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.6470	0.000	1	107.6470	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(CH3)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[6]O[5])(CH3)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.6910	0.000	1	107.6910	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]2)(CHHN)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]2)(CHHN)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.5650	0.000	1	107.5650	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]2)(CN[5]HH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]2)(CN[5]HH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	106.9740	0.000	1	106.9740	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	111.7490	0.000	1	111.7490	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	106.0020	0.000	1	106.0020	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	106.8822	1.440	5	106.8822	2.073	5	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CN[6]HH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CN[6]HH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	108.3133	2.320	3	108.3133	5.382	3	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6a]C[6,6a]C[5,6])(CF3)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[6,6a]C[5,6])(CF3)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	106.8620	0.000	1	106.8620	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5a,6]N[5,6]C[5])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[5a,6]N[5,6]C[5])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.6306	0.130	5	107.6306	0.017	5	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[6,6a]C[5,6]2)(CH3)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[6,6a]C[5,6]2)(CH3)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	109.4340	0.000	1	109.4340	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[6,6a]C[5,6]C[5])(CHHN)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]C[6,6a]C[5,6]C[5])(CHHN)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.5700	0.000	1	107.5700	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]N[5,6]C[5]C[6])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.6270	0.242	2	107.6270	0.058	2	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(CH3)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]N[5,6]C[5]C[6])(CH3)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.5450	0.000	1	107.5450	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]N[5,6]C[5]O[6])(CCCH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]N[5,6]C[5]O[6])(CCCH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.3590	0.000	1	107.3590	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]O[5,6]C[5]N[6])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]O[5,6]C[5]N[6])(CCHH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.3650	0.000	1	107.3650	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]O[5,6]C[5]O[6])(CC[6a]HH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]O[5,6]C[5]O[6])(CC[6a]HH)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	107.4490	0.000	1	107.4490	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(CHHO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	C(C[5,6]O[5,6]C[6]O[5])(CHHO)(H)2	H(CC[5,6]CH)	H(CC[5,6]CH)	109.1290	0.000	1	109.1290	0.000	1	107.3314	0.888	118	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]2O)(C[5]C[5]O[5]C)(H)2	H(CC[5,6]C[5]H)	H(CC[5,6]C[5]H)	C(C[5,6]C[5,6]2O)(C[5]C[5]O[5]C)(H)2	H(CC[5,6]C[5]H)	H(CC[5,6]C[5]H)	106.4210	0.000	1	106.4210	0.000	1	106.7070	0.164	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]N[5]H)(H)2	H(CC[5,6]C[5]H)	H(CC[5,6]C[5]H)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]N[5]H)(H)2	H(CC[5,6]C[5]H)	H(CC[5,6]C[5]H)	106.9930	0.000	1	106.9930	0.000	1	106.7070	0.164	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(NC3)(H)2	H(CC[5,6]HN)	H(CC[5,6]HN)	C(C[5,6]C[5,5,6]C[5,6]C)(NC3)(H)2	H(CC[5,6]HN)	H(CC[5,6]HN)	106.4410	0.000	1	106.4410	0.000	1	106.4410	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:N[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(N[5]C[5]2C)(H)2	H(CC[5,6]N[5]H)	H(CC[5,6]N[5]H)	C(C[5,6]C[5,5,6]C[5,6]C)(N[5]C[5]2C)(H)2	H(CC[5,6]N[5]H)	H(CC[5,6]N[5]H)	106.7875	0.033	2	106.7875	0.001	2	106.7875	0.001	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(PC3)(H)2	H(CC[5,6]HP)	H(CC[5,6]HP)	C(C[5,6]C[5,5,6]C[5,6]H)(PC3)(H)2	H(CC[5,6]HP)	H(CC[5,6]HP)	107.3470	0.000	1	107.3470	0.000	1	107.5420	0.076	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]P[5,5,6]H)(PC[6a]2B)(H)2	H(CC[5,6]HP)	H(CC[5,6]HP)	C(C[5,6]C[5,5,6]P[5,5,6]H)(PC[6a]2B)(H)2	H(CC[5,6]HP)	H(CC[5,6]HP)	107.7370	0.000	1	107.7370	0.000	1	107.5420	0.076	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]2H)(SC[6a]OO)(H)2	H(CC[5,6]HS)	H(CC[5,6]HS)	C(C[5,6]C[5,6]2H)(SC[6a]OO)(H)2	H(CC[5,6]HS)	H(CC[5,6]HS)	107.6205	0.078	2	107.6205	0.006	2	107.6205	0.006	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5,6]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6,6a]C[5,6a]C[6])(SiC[6a]CC)(H)2	H(CC[5,6]SiH)	H(CC[5,6]SiH)	C(C[5,6]C[5,6,6a]C[5,6a]C[6])(SiC[6a]CC)(H)2	H(CC[5,6]SiH)	H(CC[5,6]SiH)	106.5630	0.236	2	106.5630	0.056	2	106.5630	0.056	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:B-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]N[5]H)(BC[6a]3)(H)2	H(CC[5]BH)	H(CC[5]BH)	C(C[5]C[5,5]N[5]H)(BC[6a]3)(H)2	H(CC[5]BH)	H(CC[5]BH)	107.0890	0.103	2	107.0890	0.011	2	107.7588	1.260	4	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:B-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(BC[6a]3)(H)2	H(CC[5]BH)	H(CC[5]BH)	C(C[5]C[5]N[5]H)(BC[6a]3)(H)2	H(CC[5]BH)	H(CC[5]BH)	108.4285	1.405	2	108.4285	1.974	2	107.7588	1.260	4	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]B[5,5]C[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]B[5,5]C[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3620	0.000	1	107.3620	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]B[5,5]O[5]H)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]B[5,5]O[5]H)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4815	0.114	2	107.4815	0.013	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]B[5]P[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]B[5]P[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6175	0.351	2	107.6175	0.124	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]C[5,5]H)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[3,5]C[5,5]H)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4080	0.000	1	107.4080	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2070	0.083	2	107.2070	0.007	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]N[5]C)(CHHS)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[3,5]N[5]C)(CHHS)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6260	0.000	1	107.6260	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[3x5,6]N[5]H)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[3x5,6]N[5]H)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6160	0.000	1	107.6160	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[4,5,6]O[5]H)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[4,5,6]O[5]H)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4120	0.000	1	107.4120	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[4,5]C[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[4,5]C[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6955	0.022	2	107.6955	0.000	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[4,5]C[5]H)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[4,5]C[5]H)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8890	0.000	1	107.8890	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[4,5]C[5]H)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[4,5]C[5]H)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7805	0.032	2	107.7805	0.001	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,3x6]C[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,3x6]C[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	105.9960	0.789	2	105.9960	0.623	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,3x6]C[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,3x6]C[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8140	0.000	1	107.8140	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5,6]C[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5,6]C[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7820	0.000	1	107.7820	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5,6]C[5]H)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5,6]C[5]H)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5810	0.000	1	107.5810	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5,6]N[5]H)(CCCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5,6]N[5]H)(CCCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3410	0.000	1	107.3410	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]2H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]2H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8220	0.000	1	107.8220	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5,6]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5,6]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4580	0.000	1	107.4580	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.6727	1.242	7	106.6727	1.543	7	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]C)(CF3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5]C)(CF3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.1530	0.000	1	107.1530	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5]C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3760	0.000	1	107.3760	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]C)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5]C)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3700	0.000	1	107.3700	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2732	0.058	4	107.2732	0.003	4	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2380	0.794	10	107.2380	0.630	10	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5423	0.179	3	107.5423	0.032	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5746	0.202	15	107.5746	0.041	15	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(CC[5]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC[5]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9220	0.000	1	107.9220	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(CC[6]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC[6]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6215	0.129	2	107.6215	0.017	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3670	0.206	2	107.3670	0.043	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4995	0.153	4	107.4995	0.024	4	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]N)(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5]N)(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.8970	0.000	1	106.8970	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]O)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[5]O)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7440	0.000	1	107.7440	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[6a]C[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]C[6a]C[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5490	0.000	1	107.5490	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]N[5,5]H)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]N[5,5]H)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4390	0.000	1	107.4390	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]N[5]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]N[5]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8390	0.000	1	107.8390	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]N[5]H)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]N[5]H)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2650	0.000	1	107.2650	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]N[5]H)(CC[5]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]N[5]H)(CC[5]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.8780	0.346	2	106.8780	0.120	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]N[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]N[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5220	0.225	4	107.5220	0.051	4	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]C)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]O[5]C)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3260	0.000	1	107.3260	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6758	0.231	5	107.6758	0.053	5	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7587	0.306	4	107.7587	0.093	4	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]H)(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]O[5]H)(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2250	0.000	1	107.2250	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]H)(CC[5]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]O[5]H)(CC[5]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8860	0.085	2	107.8860	0.007	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]O[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6580	0.000	1	107.6580	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]H)(CSnHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]O[5]H)(CSnHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8610	0.000	1	107.8610	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]O)(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]O[5]O)(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3940	0.000	1	107.3940	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]O)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]O[5]O)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8540	0.000	1	107.8540	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]S[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5]S[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5907	0.324	4	107.5907	0.105	4	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5a]2C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5a]2C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4720	0.047	6	107.4720	0.002	6	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3837	0.108	11	107.3837	0.012	11	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5a]C[5,6a]C[6a])(CF3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5a]C[5,6a]C[6a])(CF3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2140	0.000	1	107.2140	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5a]C[5]H)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5a]C[5]H)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6500	0.000	1	107.6500	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5a]C[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,5a]C[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7130	0.000	1	107.7130	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6825	0.118	4	107.6825	0.014	4	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6,6]C[5]O)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6,6]C[5]O)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9540	0.000	1	107.9540	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]2C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]2C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3740	0.171	2	107.3740	0.029	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]2H)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]2H)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5360	0.000	1	107.5360	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]2Hf)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]2Hf)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9830	0.033	3	107.9830	0.001	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3581	0.162	9	107.3581	0.026	9	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.1200	0.078	2	107.1200	0.006	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4505	0.109	21	107.4505	0.012	21	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Cr)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]Cr)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5880	0.000	1	107.5880	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Cr)(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]Cr)(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7053	0.036	4	107.7053	0.001	4	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Eu)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]Eu)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8510	0.000	1	107.8510	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Eu)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]Eu)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2085	0.128	4	107.2085	0.016	4	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Eu)(CN[6]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]Eu)(CN[6]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6310	0.000	1	107.6310	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.0789	2.069	11	107.0789	4.279	11	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6784	1.654	5	107.6784	2.736	5	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]H)(CC[6]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CC[6]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4290	0.117	2	107.4290	0.014	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]H)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4820	0.000	1	107.4820	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7760	0.000	1	107.7760	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7685	0.047	2	107.7685	0.002	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Hf)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]Hf)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.6860	0.736	6	108.6860	0.542	6	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Ho)(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]Ho)(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5360	0.000	1	107.5360	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Mo)(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]Mo)(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9025	0.081	2	107.9025	0.007	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Ni)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]Ni)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.1543	0.480	4	108.1543	0.230	4	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0850	1.139	3	108.0850	1.297	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]O)(CC[3]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]O)(CC[3]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6525	0.206	2	107.6525	0.042	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]O)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]O)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6940	0.000	1	107.6940	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Rh)(CC[6a]HP)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]Rh)(CC[6a]HP)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9410	0.024	2	107.9410	0.001	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Rh)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]Rh)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8930	0.000	1	107.8930	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Ru)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]Ru)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0320	0.000	1	108.0320	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Sm)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]Sm)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2567	0.117	4	107.2567	0.014	4	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Ti)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]Ti)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.2170	0.000	1	108.2170	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Ti)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]Ti)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3050	0.000	1	107.3050	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Ti)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]Ti)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0600	0.000	1	108.0600	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Zr)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]Zr)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9360	0.768	21	107.9360	0.590	21	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]Zr)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]Zr)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0214	0.138	10	108.0214	0.019	10	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[6a]C[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]C[6a]C[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7440	0.000	1	107.7440	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]N[5]C)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]N[5]C)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4520	0.000	1	107.4520	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]N[5]H)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]N[5]H)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4055	0.147	12	107.4055	0.021	12	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]N[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]N[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3960	0.093	2	107.3960	0.009	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]N[5]H)(CC[6]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]N[5]H)(CC[6]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4660	0.052	2	107.4660	0.003	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]N[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]N[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5604	0.138	11	107.5604	0.019	11	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]O[5]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]O[5]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.1343	1.343	4	108.1343	1.802	4	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]O[5]C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]O[5]C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2818	1.646	12	107.2818	2.709	12	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]O[5]H)(CCCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CCCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.1100	0.000	1	107.1100	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6128	0.164	4	107.6128	0.027	4	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]O[5]H)(CC[5]CO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CC[5]CO)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.5900	0.000	1	106.5900	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]O[5]H)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.1370	0.000	1	108.1370	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]O[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9300	0.115	2	107.9300	0.013	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2C)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2550	0.000	1	107.2550	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3334	1.712	85	107.3334	2.929	85	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3659	1.261	76	107.3659	1.590	76	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2C)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6075	0.036	2	107.6075	0.001	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2C[5])(CCFF)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]2C[5])(CCFF)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.0630	0.064	2	107.0630	0.004	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2C[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]2C[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5155	0.069	2	107.5155	0.005	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2H)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]2H)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4250	0.000	1	107.4250	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2H)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]2H)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5846	0.109	5	107.5846	0.012	5	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2H)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]2H)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4080	0.000	1	107.4080	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2H)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]2H)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7490	0.000	1	107.7490	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2N[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]2N[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6720	0.000	1	107.6720	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2N[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]2N[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8495	0.065	6	107.8495	0.004	6	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[3,5]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[3,5]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3260	0.000	1	107.3260	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,5]C)(CHOO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]C)(CHOO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5135	0.008	2	107.5135	0.000	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,5]C[5])(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]C[5])(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0140	0.000	1	108.0140	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7560	0.000	1	107.7560	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,5]H)(CC[6a]ClH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]H)(CC[6a]ClH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2310	0.000	1	107.2310	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,5]H)(CHSS)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]H)(CHSS)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8410	0.000	1	107.8410	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,6]C)(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2185	0.380	6	107.2185	0.145	6	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,6]O)(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,6]O)(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3750	0.000	1	107.3750	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,6]Rh)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,6]Rh)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8260	0.000	1	107.8260	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]2)(CCHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]2)(CCHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4305	0.197	2	107.4305	0.039	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]2)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]2)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6400	0.000	1	107.6400	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]2)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]2)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7170	0.000	1	107.7170	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CBr3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CBr3)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.8290	0.000	1	106.8290	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.7453	0.057	3	106.7453	0.003	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CCCF)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCCF)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.1620	0.000	1	107.1620	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4818	0.088	4	107.4818	0.008	4	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CCHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5470	0.000	1	107.5470	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6620	0.000	1	107.6620	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4115	0.122	154	107.4115	0.015	154	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5210	0.000	1	107.5210	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	113.0370	0.000	2	113.0370	0.000	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CN[5]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CN[5]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6520	0.000	1	107.6520	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CSeHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CSeHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6870	0.227	8	107.6870	0.052	8	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C[6])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C[6])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5380	0.000	1	107.5380	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]F)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]F)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3980	0.000	1	107.3980	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]F)(CHSS)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]F)(CHSS)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4990	0.000	1	107.4990	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.9295	0.415	2	106.9295	0.172	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8087	0.371	3	107.8087	0.138	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8414	0.627	8	107.8414	0.393	8	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(CC[5]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CC[5]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7070	0.000	1	107.7070	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9030	0.000	1	107.9030	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(CF3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CF3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6520	0.000	1	107.6520	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	109.4320	0.042	3	109.4320	0.002	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9473	0.195	3	107.9473	0.038	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]N)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]N)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3130	0.000	1	107.3130	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]N)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]N)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4295	0.228	2	107.4295	0.052	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6370	0.130	2	107.6370	0.017	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4263	0.078	3	107.4263	0.006	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5150	0.000	1	107.5150	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6013	0.152	3	107.6013	0.023	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(CN[5]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CN[5]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5010	0.000	1	107.5010	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]O[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6180	0.000	1	107.6180	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]S)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]S)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8710	0.000	1	107.8710	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2930	0.000	1	107.2930	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CHPP)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[6a]C[5])(CHPP)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2560	0.000	1	107.2560	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CN[5]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]C[6a]C[5])(CN[5]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4960	0.000	1	107.4960	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4990	0.000	1	107.4990	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]C)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]C)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.4310	0.000	1	108.4310	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4276	0.107	5	107.4276	0.011	5	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]H)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]H)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2520	0.000	1	107.2520	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0090	0.000	1	108.0090	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]N)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]N)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7600	0.151	2	107.7600	0.023	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]O)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]O)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.6666	8.553	3	106.6666	73.149	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]O)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]O)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	104.1470	0.000	1	104.1470	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5a]C[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5a]C[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4680	0.000	1	107.4680	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5060	0.024	2	107.5060	0.001	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]O[5]H)(CCFF)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CCFF)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6170	0.000	1	107.6170	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]O[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5780	0.000	1	107.5780	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]O[5]H)(CC[6a]HN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CC[6a]HN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3640	0.000	1	107.3640	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]O[5]H)(CC[6a]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CC[6a]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5580	0.000	1	107.5580	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.1330	1.053	7	108.1330	1.108	7	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]O[5]H)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	109.1480	0.000	1	109.1480	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ba)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ba)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3950	0.000	1	107.3950	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2C)(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.7915	0.063	2	106.7915	0.004	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(CCFF)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2C)(CCFF)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.9308	0.221	6	106.9308	0.049	6	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5706	0.599	40	107.5706	0.359	40	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2C)(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.1930	0.000	1	107.1930	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(CC[3]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2C)(CC[3]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.1150	0.027	2	107.1150	0.001	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(CC[5]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2C)(CC[5]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	109.4240	0.000	1	109.4240	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(CC[6]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2C)(CC[6]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7114	0.818	7	107.7114	0.669	7	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2C)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3180	0.000	1	107.3180	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3792	0.615	63	107.3792	0.378	63	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2C)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5856	0.044	5	107.5856	0.002	5	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2C)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.3137	1.893	3	106.3137	3.584	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(CHOO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2C)(CHOO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9890	0.000	1	107.9890	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Cl)(CF3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Cl)(CF3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3440	0.000	1	107.3440	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Co)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Co)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6103	0.126	3	107.6103	0.016	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Co)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Co)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8694	0.081	5	107.8694	0.007	5	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Co)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Co)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9060	0.000	1	107.9060	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Co)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Co)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5456	0.255	5	107.5456	0.065	5	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Cr)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Cr)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7226	0.194	43	107.7226	0.038	43	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Cr)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Cr)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.3860	0.000	1	108.3860	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Cr)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Cr)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8755	0.271	6	107.8755	0.074	6	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(CBHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Fe)(CBHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6448	0.162	5	107.6448	0.026	5	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Fe)(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.2359	1.053	8	108.2359	1.109	8	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Fe)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4175	0.203	2	107.4175	0.041	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9308	1.781	47	107.9308	3.172	47	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(CC[5,5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Fe)(CC[5,5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5260	0.000	1	107.5260	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Fe)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9166	0.176	5	107.9166	0.031	5	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(CC[5a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Fe)(CC[5a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6457	0.179	3	107.6457	0.032	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(CC[6a]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Fe)(CC[6a]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	109.3490	0.163	2	109.3490	0.026	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Fe)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6668	0.295	4	107.6668	0.087	4	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Fe)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	104.9530	9.843	14	104.9530	96.888	14	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Fe)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8015	0.009	2	107.8015	0.000	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Fe)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8331	0.193	13	107.8331	0.037	13	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(CHHS)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Fe)(CHHS)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9505	0.067	2	107.9505	0.005	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(CN[6]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Fe)(CN[6]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8733	0.161	9	107.8733	0.026	9	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(CN[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Fe)(CN[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0820	0.337	2	108.0820	0.113	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2765	1.370	14	107.2765	1.878	14	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4750	0.252	6	107.4750	0.064	6	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CCCN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CCCN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2455	0.054	2	107.2455	0.003	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CCCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CCCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5910	0.026	3	107.5910	0.001	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CCFF)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CCFF)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6040	0.000	1	107.6040	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7106	0.790	118	107.7106	0.624	118	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5256	0.197	14	107.5256	0.039	14	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CC[3]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[3]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5557	0.180	12	107.5557	0.032	12	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CC[3]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[3]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5267	0.091	7	107.5267	0.008	7	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7910	0.184	9	107.7910	0.034	9	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CC[5]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[5]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7590	0.000	1	107.7590	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CC[6]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.1983	0.190	3	107.1983	0.036	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CC[6]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6583	0.157	7	107.6583	0.025	7	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CC[6a]CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6a]CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4290	0.000	1	107.4290	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6470	0.058	2	107.6470	0.003	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CC[6a]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6a]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5400	0.000	1	107.5400	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CF3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CF3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5710	0.000	1	107.5710	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9395	0.947	19	107.9395	0.897	19	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CHHI)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CHHI)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7930	0.000	1	107.7930	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8158	0.225	9	107.8158	0.051	9	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	109.3120	0.000	1	109.3120	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CHHS)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CHHS)(H)2	H(CC[5]CH)	H(CC[5]CH)	109.5080	0.000	1	109.5080	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2H)(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.0295	0.009	2	107.0295	0.000	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Hf)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Hf)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7900	0.000	1	107.7900	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Hf)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Hf)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7672	0.123	4	107.7672	0.015	4	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ir)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ir)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6020	0.000	1	107.6020	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ir)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ir)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.3846	0.603	9	108.3846	0.364	9	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ir)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ir)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8027	0.163	3	107.8027	0.026	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ir)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ir)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9670	0.000	1	107.9670	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ir)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ir)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0313	0.218	3	108.0313	0.048	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ir)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ir)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	109.5298	0.143	4	109.5298	0.020	4	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ir)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ir)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8960	0.248	3	107.8960	0.062	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ir)(CN[5]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ir)(CN[5]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5480	0.000	1	107.5480	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ir)(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ir)(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.9930	0.000	1	106.9930	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Lu)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Lu)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5090	0.102	4	107.5090	0.010	4	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Mn)(CC[6a]CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Mn)(CC[6a]CC)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6110	0.000	1	107.6110	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Mn)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Mn)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6056	0.204	10	107.6056	0.042	10	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Mn)(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Mn)(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9590	0.000	1	107.9590	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Mo)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Mo)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	104.2910	0.000	1	104.2910	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Mo)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Mo)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5980	0.000	1	107.5980	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Mo)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Mo)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.2660	0.013	2	108.2660	0.000	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Mo)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Mo)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3360	0.000	1	107.3360	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Mo)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Mo)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0420	0.197	6	108.0420	0.039	6	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Mo)(CMoHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Mo)(CMoHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	109.9493	0.190	4	109.9493	0.036	4	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2N)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2N)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.0840	0.007	2	107.0840	0.000	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ni)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ni)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5367	0.069	4	107.5367	0.005	4	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O)(CCCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2O)(CCCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.9700	0.000	1	106.9700	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2O)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2700	0.267	6	107.2700	0.071	6	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O)(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2O)(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.1310	0.158	3	107.1310	0.025	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O)(CC[3]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2O)(CC[3]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6000	0.119	3	107.6000	0.014	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O)(CC[5,6]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2O)(CC[5,6]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.1285	0.066	2	107.1285	0.004	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O)(CC[5]CO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2O)(CC[5]CO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2940	0.000	1	107.2940	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2O)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5743	0.030	3	107.5743	0.001	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2O)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5445	0.040	2	107.5445	0.002	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2O)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2010	0.000	1	107.2010	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O)(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2O)(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.6790	0.000	1	106.6790	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2O[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7880	0.223	3	107.7880	0.050	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2O[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.5180	1.411	2	108.5180	1.992	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Os)(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Os)(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7010	0.000	1	107.7010	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Os)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Os)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.3600	0.000	1	108.3600	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Pd)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Pd)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2825	0.206	2	107.2825	0.042	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Re)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Re)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0170	0.000	1	108.0170	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Rh)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Rh)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6820	0.000	1	107.6820	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Rh)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Rh)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0902	0.781	26	108.0902	0.610	26	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Rh)(CC[5]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Rh)(CC[5]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6690	0.000	1	107.6690	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Rh)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Rh)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9650	0.000	1	107.9650	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Rh)(CC[6a]HP)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Rh)(CC[6a]HP)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9650	0.000	1	107.9650	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Rh)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Rh)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0247	0.221	7	108.0247	0.049	7	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Rh)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Rh)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	109.2537	0.494	6	109.2537	0.244	6	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Rh)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Rh)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9890	0.000	1	107.9890	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Rh)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Rh)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9765	0.062	2	107.9765	0.004	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Rh)(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Rh)(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5360	0.000	1	107.5360	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ru)(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ru)(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.9174	0.130	7	106.9174	0.017	7	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ru)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ru)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6255	0.267	2	107.6255	0.071	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ru)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ru)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8525	0.029	2	107.8525	0.001	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ru)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ru)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2596	2.940	15	107.2596	8.644	15	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ru)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ru)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.1890	0.155	3	108.1890	0.024	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ru)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ru)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7310	0.245	2	107.7310	0.060	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ru)(CN[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ru)(CN[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7470	0.095	2	107.7470	0.009	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2S)(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2S)(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9910	0.000	1	107.9910	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Sm)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Sm)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8740	0.004	2	107.8740	0.000	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ti)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ti)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7780	0.354	4	107.7780	0.125	4	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ti)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ti)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9770	0.647	3	107.9770	0.419	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ti)(CCHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ti)(CCHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.1620	0.000	1	108.1620	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ti)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ti)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.0101	2.150	8	107.0101	4.622	8	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ti)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ti)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.1670	0.195	2	108.1670	0.038	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ti)(CTiNN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ti)(CTiNN)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.6410	0.000	1	108.6410	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2U)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2U)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9843	0.132	4	107.9843	0.018	4	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2V)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2V)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.4100	0.000	1	108.4100	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2V)(CN[6]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2V)(CN[6]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7017	0.270	3	107.7017	0.073	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2W)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2W)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5910	0.000	1	107.5910	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2W)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2W)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0100	0.130	8	108.0100	0.017	8	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2W)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2W)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.3175	0.090	2	108.3175	0.008	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2W)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2W)(CHHP)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8622	0.232	4	107.8622	0.054	4	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Zn)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Zn)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4400	0.532	2	107.4400	0.283	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Zn)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Zn)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7840	0.228	2	107.7840	0.052	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Zn)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Zn)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7830	0.000	1	107.7830	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Zr)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Zr)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7194	0.320	5	107.7194	0.102	5	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Zr)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Zr)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.6286	2.965	16	106.6286	8.789	16	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Zr)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Zr)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8515	0.110	2	107.8515	0.012	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]C[6]O[5])(CC[6]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]C[6]O[5])(CC[6]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4960	0.231	2	107.4960	0.053	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2717	0.288	4	107.2717	0.083	4	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3332	0.159	22	107.3332	0.025	22	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5790	0.000	1	107.5790	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5530	0.617	13	107.5530	0.380	13	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(CHHS)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CHHS)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.9820	0.915	2	106.9820	0.837	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(CRhCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CRhCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0220	0.000	1	108.0220	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7852	0.696	26	107.7852	0.484	26	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(CCCN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2900	0.000	1	107.2900	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8815	1.201	30	107.8815	1.442	30	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(CCHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.1890	0.000	1	107.1890	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7388	0.067	5	107.7388	0.005	5	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7396	0.186	10	107.7396	0.035	10	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(CC[6a]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CC[6a]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8830	0.000	1	107.8830	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(CClCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CClCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6460	0.000	1	107.6460	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(CF3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CF3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6770	0.140	3	107.6770	0.020	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7839	0.344	19	107.7839	0.118	19	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8722	0.313	5	107.8722	0.098	5	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6772	0.165	9	107.6772	0.027	9	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(CHHS)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CHHS)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6493	0.190	9	107.6493	0.036	9	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(CSiHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CSiHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7030	0.000	1	107.7030	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]O)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]O)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.0127	0.047	3	107.0127	0.002	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]O)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]O)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4090	0.000	1	107.4090	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]O)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]N[5]O)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4830	0.000	1	107.4830	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.1060	0.000	1	107.1060	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(CCCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.5405	0.035	2	106.5405	0.001	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7549	0.464	15	107.7549	0.215	15	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(CCHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	110.3170	0.000	1	110.3170	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(CC[3]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CC[3]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7707	0.065	3	107.7707	0.004	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(CC[4]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CC[4]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.0370	0.000	1	107.0370	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2994	0.139	5	107.2994	0.019	5	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(CC[6]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CC[6]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.8840	0.000	1	106.8840	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5610	0.000	1	107.5610	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4585	0.113	6	107.4585	0.013	6	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6363	0.281	3	107.6363	0.079	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(CHHS)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CHHS)(H)2	H(CC[5]CH)	H(CC[5]CH)	109.7630	0.000	1	109.7630	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5350	0.000	1	107.5350	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7015	0.212	8	107.7015	0.045	8	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CCCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCCO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.1692	0.377	9	107.1692	0.142	9	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CCFF)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCFF)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6220	0.000	1	107.6220	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6380	0.531	22	107.6380	0.282	22	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CCHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6420	0.000	1	107.6420	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5790	0.336	14	107.5790	0.113	14	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6317	0.078	6	107.6317	0.006	6	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CC[5,6]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5,6]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5697	0.125	3	107.5697	0.016	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2285	0.195	13	107.2285	0.038	13	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CC[5]CO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5]CO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2740	0.000	1	107.2740	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4774	0.260	9	107.4774	0.067	9	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CC[5a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3015	0.095	2	107.3015	0.009	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CC[6]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[6]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.1853	0.143	3	107.1853	0.021	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2232	1.410	5	107.2232	1.987	5	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2377	6.373	4	107.2377	40.621	4	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6340	0.000	1	107.6340	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9828	0.448	10	107.9828	0.200	10	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CHHS)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CHHS)(H)2	H(CC[5]CH)	H(CC[5]CH)	110.1710	0.000	1	110.1710	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7580	0.243	2	107.7580	0.059	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]N)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]N)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5000	0.000	1	107.5000	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]O)(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]O)(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2660	0.000	1	107.2660	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]O)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]O)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.2102	1.717	6	108.2102	2.949	6	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]O)(CC[3,5]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]O)(CC[3,5]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	109.5370	0.000	1	109.5370	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]O)(CC[5,6]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]O)(CC[5,6]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6430	0.000	1	107.6430	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]O)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]O[5]O)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5920	0.000	1	107.5920	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]P[5]Fe)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]P[5]Fe)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8127	0.144	6	107.8127	0.021	6	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]P[5]Fe)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]P[5]Fe)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8497	0.051	7	107.8497	0.003	7	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]P[5]Fe)(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]P[5]Fe)(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6520	0.174	2	107.6520	0.030	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]P[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]P[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.1305	0.386	11	107.1305	0.149	11	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]P[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]P[5]H)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6825	0.125	4	107.6825	0.016	4	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]P[5]H)(CRhCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]P[5]H)(CRhCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2880	0.134	2	107.2880	0.018	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]P[5]Ru)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]P[5]Ru)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6300	0.000	1	107.6300	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]P[5]W)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]P[5]W)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9110	0.000	1	107.9110	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5]H)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]S[5]H)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4160	0.000	1	107.4160	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]S[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.7395	1.296	2	106.7395	1.680	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5]H)(CHHS)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]S[5]H)(CHHS)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8980	0.000	1	107.8980	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5a]C[5]N[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5a]C[5]N[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4440	0.000	1	107.4440	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5a]C[5]N[5])(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5a]C[5]N[5])(CHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3110	0.000	1	107.3110	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5a]C[5]N[5])(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5a]C[5]N[5])(CN[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2960	0.000	1	107.2960	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5a]O[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5a]O[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.6090	1.271	2	108.6090	1.616	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5892	0.198	10	107.5892	0.039	10	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]2)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[6a]C[5]2)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.0890	0.000	1	107.0890	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]2)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[6a]C[5]2)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5305	0.262	2	107.5305	0.069	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]2)(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[6a]C[5]2)(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3190	0.000	1	107.3190	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]2)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[6a]C[5]2)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4477	0.121	3	107.4477	0.015	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5986	0.136	10	107.5986	0.019	10	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(CF3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[6a]C[5]N[5])(CF3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.1155	0.070	2	107.1155	0.005	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[6a]C[5]N[5])(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6880	0.000	1	107.6880	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[6a]C[5]O[5])(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6140	0.000	1	107.6140	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(CC[5a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[6a]C[5]O[5])(CC[5a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.1620	0.000	1	107.1620	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(CFFH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[6a]C[5]O[5])(CFFH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4160	0.000	1	107.4160	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]N[5]O[5])(CC[6a]HN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[6a]N[5]O[5])(CC[6a]HN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8350	0.000	1	107.8350	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]O[5]2)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[6a]O[5]2)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3440	0.000	1	107.3440	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5,6]C[5]H)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5,5,6]C[5]H)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3700	0.000	1	107.3700	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]C[5]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5,5]C[5]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3117	0.133	3	107.3117	0.018	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]C[5]C)(CN[5]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5,5]C[5]C)(CN[5]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	109.4960	0.004	2	109.4960	0.000	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]C[5]H)(CBr2H)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5,5]C[5]H)(CBr2H)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7170	0.000	1	107.7170	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]C[5]H)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5,5]C[5]H)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5310	0.000	2	107.5310	0.000	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6948	0.186	5	107.6948	0.035	5	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]C[5]H)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5,5]C[5]H)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6070	0.038	2	107.6070	0.001	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6]C[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5,6]C[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.8745	0.019	2	107.8745	0.000	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6]C[5]H)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5,6]C[5]H)(CC[6a]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4320	0.117	2	107.4320	0.014	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6]C[6a]C[5])(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5,6]C[6a]C[5])(CHHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4490	0.000	1	107.4490	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6]N[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5,6]N[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7030	0.000	1	107.7030	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,6a]C[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5,6a]C[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.4910	0.000	1	108.4910	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]2C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4670	0.000	1	107.4670	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]2C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5760	0.000	1	107.5760	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]2H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6090	0.000	1	107.6090	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]O[5]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.4913	0.261	3	107.4913	0.068	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5]C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]O[5]C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.0170	0.000	1	108.0170	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]O[5]H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7140	0.000	1	107.7140	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5]O)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]O[5]O)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6445	0.163	2	107.6445	0.027	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]S[5]C)(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]S[5]C)(CC3)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.3820	0.000	1	106.3820	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]S[5]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]S[5]C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5740	0.000	1	107.5740	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]S[5]C)(CC[6a]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]N[5]S[5]C)(CC[6a]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.1785	0.161	2	107.1785	0.026	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2C)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]O[5]2C)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.2990	0.132	2	107.2990	0.017	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]O[5]2C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5705	0.177	2	107.5705	0.032	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2C)(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]O[5]2C)(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5140	0.000	1	107.5140	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2C)(CC[3]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]O[5]2C)(CC[3]HO)(H)2	H(CC[5]CH)	H(CC[5]CH)	112.8160	0.000	1	112.8160	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2C)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]O[5]2C)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7140	0.000	1	107.7140	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2C)(CC[6]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]O[5]2C)(CC[6]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.7600	1.266	2	106.7600	1.602	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2C)(CC[6a]2O)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]O[5]2C)(CC[6a]2O)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.0750	0.000	1	107.0750	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2C)(CC[6a]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]O[5]2C)(CC[6a]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5160	0.004	2	107.5160	0.000	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]O[5]2C)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	109.7818	1.312	12	109.7818	1.721	12	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2H)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]O[5]2H)(CCCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9130	0.000	1	107.9130	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]O[5]2H)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.4530	1.227	3	108.4530	1.506	3	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2H)(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]O[5]2H)(CCHO)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.7740	0.000	1	108.7740	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2H)(CC[4]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]O[5]2H)(CC[4]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6515	0.057	2	107.6515	0.003	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2H)(CC[5]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]O[5]2H)(CC[5]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7890	0.000	1	107.7890	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2H)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]O[5]2H)(CC[5]HH)(H)2	H(CC[5]CH)	H(CC[5]CH)	108.1420	0.000	1	108.1420	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2H)(CC[6a]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]O[5]2H)(CC[6a]CH)(H)2	H(CC[5]CH)	H(CC[5]CH)	105.5280	0.000	1	105.5280	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2H)(CClHS)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]O[5]2H)(CClHS)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.5765	2.956	2	107.5765	8.740	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2H)(CHHS)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]O[5]2H)(CHHS)(H)2	H(CC[5]CH)	H(CC[5]CH)	106.5230	0.000	1	106.5230	0.000	1	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]P[5]H)(CRhCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]O[5]P[5]H)(CRhCH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7320	0.095	2	107.7320	0.009	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]S[5]2C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]S[5]2C)(CCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.3992	0.091	4	107.3992	0.008	4	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]Si[5]C[5]Rh)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]Si[5]C[5]Rh)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.7670	0.379	2	107.7670	0.144	2	107.5993	1.635	2075	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[3]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]O[5]H)(C[3]C[3]O[3]C)(H)2	H(CC[3]C[5]H)	H(CC[3]C[5]H)	C(C[5]C[3,5]O[5]H)(C[3]C[3]O[3]C)(H)2	H(CC[3]C[5]H)	H(CC[3]C[5]H)	107.2860	0.081	2	107.2860	0.006	2	106.9318	1.846	5	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[3]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5,6]C[5]H)(C[3]C[3]O[3]H)(H)2	H(CC[3]C[5]H)	H(CC[3]C[5]H)	C(C[5]C[5,5,6]C[5]H)(C[3]C[3]O[3]H)(H)2	H(CC[3]C[5]H)	H(CC[3]C[5]H)	107.9980	0.000	1	107.9980	0.000	1	106.9318	1.846	5	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[3]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]O)(C[3]C[3]2H)(H)2	H(CC[3]C[5]H)	H(CC[3]C[5]H)	C(C[5]C[5,5]C[5]O)(C[3]C[3]2H)(H)2	H(CC[3]C[5]H)	H(CC[3]C[5]H)	107.5300	0.000	1	107.5300	0.000	1	106.9318	1.846	5	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[3]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]O[5]H)(C[3]C[3]O[3]C)(H)2	H(CC[3]C[5]H)	H(CC[3]C[5]H)	C(C[5]C[5,6]O[5]H)(C[3]C[3]O[3]C)(H)2	H(CC[3]C[5]H)	H(CC[3]C[5]H)	104.5590	0.000	1	104.5590	0.000	1	106.9318	1.846	5	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[3x6]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]2)(C[3x6]C[6,6]3)(H)2	H(CC[3x6]C[5]H)	H(CC[3x6]C[5]H)	C(C[5]C[6a]C[5]2)(C[3x6]C[6,6]3)(H)2	H(CC[3x6]C[5]H)	H(CC[3x6]C[5]H)	106.5760	0.000	1	106.5760	0.000	1	106.5760	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[3,5]O[5]H)(C[5]C[5]O[5]C)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[3,5]O[5]H)(C[5]C[5]O[5]C)(H)2	H(CC[5]2H)	H(CC[5]2H)	107.1520	0.000	1	107.1520	0.000	1	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]C)(C[5]C[5]O[5]O)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5,5]C[5]C)(C[5]C[5]O[5]O)(H)2	H(CC[5]2H)	H(CC[5]2H)	107.1080	0.000	1	107.1080	0.000	1	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(C[5]C[5]2C)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5,5]C[5]H)(C[5]C[5]2C)(H)2	H(CC[5]2H)	H(CC[5]2H)	107.1855	0.202	2	107.1855	0.041	2	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2C)(C[5]C[5,6a]2H)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5,6a]2C)(C[5]C[5,6a]2H)(H)2	H(CC[5]2H)	H(CC[5]2H)	106.9710	1.179	2	106.9710	1.391	2	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2C)2(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5,6a]2C)2(H)2	H(CC[5]2H)	H(CC[5]2H)	106.6574	2.234	8	106.6574	4.991	8	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2H)2(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5,6a]2H)2(H)2	H(CC[5]2H)	H(CC[5]2H)	108.0930	0.000	1	108.0930	0.000	1	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(C[5]C[5,6a]2C)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5,6a]C[5,6]C)(C[5]C[5,6a]2C)(H)2	H(CC[5]2H)	H(CC[5]2H)	106.0975	1.247	2	106.0975	1.554	2	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C[6])(C[5]C[5,6]N[5]H)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5,6a]C[5]C[6])(C[5]C[5,6]N[5]H)(H)2	H(CC[5]2H)	H(CC[5]2H)	107.2255	0.029	2	107.2255	0.001	2	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(H)2	H(CC[5]2H)	H(CC[5]2H)	107.6620	0.000	2	107.6620	0.000	2	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(H)2	H(CC[5]2H)	H(CC[5]2H)	107.3335	0.025	2	107.3335	0.001	2	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	H(CC[5]2H)	H(CC[5]2H)	107.2608	0.181	10	107.2608	0.033	10	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(C[5]C[5]2H)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5]2Fe)(C[5]C[5]2H)(H)2	H(CC[5]2H)	H(CC[5]2H)	107.7152	0.431	6	107.7152	0.186	6	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)2(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5]2Fe)2(H)2	H(CC[5]2H)	H(CC[5]2H)	107.3563	0.044	3	107.3563	0.002	3	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(C[5]C[5]2O)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5]2H)(C[5]C[5]2O)(H)2	H(CC[5]2H)	H(CC[5]2H)	107.7220	0.057	2	107.7220	0.003	2	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)2(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5]2H)2(H)2	H(CC[5]2H)	H(CC[5]2H)	107.7720	0.000	1	107.7720	0.000	1	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Mo)2(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5]2Mo)2(H)2	H(CC[5]2H)	H(CC[5]2H)	107.4920	0.000	1	107.4920	0.000	1	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ru)2(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5]2Ru)2(H)2	H(CC[5]2H)	H(CC[5]2H)	107.5310	0.000	1	107.5310	0.000	1	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]C)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]C)(H)2	H(CC[5]2H)	H(CC[5]2H)	107.6340	0.243	2	107.6340	0.059	2	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]Mn)(C[5]C[5]P[5]Fe)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5]N[5]Mn)(C[5]C[5]P[5]Fe)(H)2	H(CC[5]2H)	H(CC[5]2H)	108.5530	0.055	2	108.5530	0.003	2	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(C[5]C[5]2O)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5]O[5]C)(C[5]C[5]2O)(H)2	H(CC[5]2H)	H(CC[5]2H)	106.9490	0.000	1	106.9490	0.000	1	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(H)2	H(CC[5]2H)	H(CC[5]2H)	107.2400	0.000	1	107.2400	0.000	1	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	H(CC[5]2H)	H(CC[5]2H)	106.9663	0.274	3	106.9663	0.075	3	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(C[5]C[5]2Ti)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5]O[5]H)(C[5]C[5]2Ti)(H)2	H(CC[5]2H)	H(CC[5]2H)	107.6450	0.000	1	107.6450	0.000	1	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)2(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5]O[5]H)2(H)2	H(CC[5]2H)	H(CC[5]2H)	107.8610	0.000	1	107.8610	0.000	1	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(H)2	H(CC[5]2H)	H(CC[5]2H)	107.9010	0.180	2	107.9010	0.032	2	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]N[5]2)(C[5]N[5]2C)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]C[6a]N[5]2)(C[5]N[5]2C)(H)2	H(CC[5]2H)	H(CC[5]2H)	107.2490	0.037	2	107.2490	0.001	2	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]Ge[4,5]C[5]N)(C[5]C[5]2W)(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]Ge[4,5]C[5]N)(C[5]C[5]2W)(H)2	H(CC[5]2H)	H(CC[5]2H)	106.9320	0.000	1	106.9320	0.000	1	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]O[5]C)2(H)2	H(CC[5]2H)	H(CC[5]2H)	C(C[5]N[5]O[5]C)2(H)2	H(CC[5]2H)	H(CC[5]2H)	107.1390	0.000	1	107.1390	0.000	1	107.2986	0.852	64	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	107.3390	0.171	4	107.3390	0.029	4	107.4139	0.773	31	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5,5]O)(C[6]N[6,6a]C[6]H)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[5]C[5,6a]C[5,5]O)(C[6]N[6,6a]C[6]H)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	107.4772	0.206	4	107.4772	0.042	4	107.4139	0.773	31	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(C[6]C[6]2C)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[5]C[5]2Fe)(C[6]C[6]2C)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	107.7360	0.000	1	107.7360	0.000	1	107.4139	0.773	31	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(C[6]C[6]2H)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[5]C[5]2Fe)(C[6]C[6]2H)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	104.8150	0.000	1	104.8150	0.000	1	107.4139	0.773	31	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(C[6]C[6]2C)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[5]C[5]2H)(C[6]C[6]2C)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	107.3983	0.063	3	107.3983	0.004	3	107.4139	0.773	31	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(C[6]C[6]2H)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[5]C[5]2H)(C[6]C[6]2H)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	107.2760	0.291	5	107.2760	0.084	5	107.4139	0.773	31	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ir)(C[6]C[6]2C)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[5]C[5]2Ir)(C[6]C[6]2C)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	106.7950	0.000	1	106.7950	0.000	1	107.4139	0.773	31	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ir)(C[6]C[6]2H)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[5]C[5]2Ir)(C[6]C[6]2H)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	108.5100	0.000	1	108.5100	0.000	1	107.4139	0.773	31	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O)(C[6]C[6]2O)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[5]C[5]2O)(C[6]C[6]2O)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	107.3420	0.139	2	107.3420	0.019	2	107.4139	0.773	31	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6]C[6]N[6]H)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[5]C[5]N[5]H)(C[6]C[6]N[6]H)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	109.5090	0.000	1	109.5090	0.000	1	107.4139	0.773	31	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6]C[6]2S)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[5]C[5]O[5]H)(C[6]C[6]2S)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	105.8280	0.000	2	105.8280	0.000	2	107.4139	0.773	31	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	108.2960	0.607	4	108.2960	0.369	4	107.4139	0.773	31	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	107.9630	0.000	1	107.9630	0.000	1	107.4139	0.773	31	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(C[6]C[6]2H)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[5]C[6a]C[5]O[5])(C[6]C[6]2H)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	107.1400	0.000	1	107.1400	0.000	1	107.4139	0.773	31	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]H)(NCHH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5,6]C[5]H)(NCHH)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.4835	0.159	2	107.4835	0.025	2	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NC3)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NC3)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.3648	1.384	17	108.3648	1.916	17	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NCCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NCCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.1573	0.732	11	108.1573	0.535	11	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NCHH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NCHH)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.0151	0.512	47	108.0151	0.262	47	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NCrCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NCrCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.8320	0.000	1	107.8320	0.000	1	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NCuCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NCuCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.7300	0.000	1	107.7300	0.000	1	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NCuCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NCuCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.8330	0.182	4	107.8330	0.033	4	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NH3)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NH3)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.9957	0.184	3	107.9957	0.034	3	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NNiCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NNiCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	104.4993	4.964	3	104.4993	24.641	3	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NPbCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NPbCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.1885	1.351	2	107.1885	1.826	2	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NPdCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NPdCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.1295	0.258	8	108.1295	0.066	8	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NPtCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NPtCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.0538	0.370	5	108.0538	0.137	5	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(NZnCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NZnCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.4910	0.119	2	107.4910	0.014	2	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(NCCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2H)(NCCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.7555	0.021	2	107.7555	0.000	2	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(NCHH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]2H)(NCHH)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.9690	0.000	1	107.9690	0.000	1	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(NCuCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5]C)(NCuCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.8190	0.000	1	107.8190	0.000	1	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]Ca)(NCaCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5]Ca)(NCaCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.7610	0.000	1	107.7610	0.000	1	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(NC[6a]PdH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NC[6a]PdH)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.9890	0.000	1	107.9890	0.000	1	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(NCoCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NCoCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.1730	0.000	1	108.1730	0.000	1	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(NFeCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NFeCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.8880	0.000	1	107.8880	0.000	1	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(NH3)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NH3)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.8150	0.000	1	107.8150	0.000	1	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(NMgCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NMgCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.9207	0.122	4	107.9207	0.015	4	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(NMnCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NMnCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.7410	0.000	1	107.7410	0.000	1	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(NZnCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NZnCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.7373	0.025	3	107.7373	0.001	3	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]Li)(NZn2C)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]N[5]Li)(NZn2C)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.6985	0.070	2	107.6985	0.005	2	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(NC3)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NC3)(H)2	H(CC[5]HN)	H(CC[5]HN)	108.3125	1.747	2	108.3125	3.053	2	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(NCuCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NCuCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.7750	0.000	1	107.7750	0.000	1	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(NFeCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NFeCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.7960	0.294	5	107.7960	0.086	5	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(NFeCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NFeCH)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.7490	0.000	1	107.7490	0.000	1	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(NPtHH)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NPtHH)(H)2	H(CC[5]HN)	H(CC[5]HN)	107.3505	0.049	2	107.3505	0.002	2	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(NH3)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]C[6a]C[5]N[5])(NH3)(H)2	H(CC[5]HN)	H(CC[5]HN)	105.0260	0.000	1	105.0260	0.000	1	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2H)(NMgCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	C(C[5]O[5]2H)(NMgCC)(H)2	H(CC[5]HN)	H(CC[5]HN)	109.4453	0.061	3	109.4453	0.004	3	107.9343	1.169	140	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N[4]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(N[4]C[4]2H)(H)2	H(CC[5]N[4]H)	H(CC[5]N[4]H)	C(C[5]C[5]2Fe)(N[4]C[4]2H)(H)2	H(CC[5]N[4]H)	H(CC[5]N[4]H)	107.9000	0.000	1	107.9000	0.000	1	107.9000	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(N[5]C[5]2H)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(C[5]C[5]2Fe)(N[5]C[5]2H)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	107.6730	0.000	1	107.6730	0.000	1	107.8130	0.039	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(N[5]C[5]2Pd)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(C[5]C[5]N[5]H)(N[5]C[5]2Pd)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	107.9530	0.000	1	107.9530	0.000	1	107.8130	0.039	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:N[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5]B[5]C[5]H)(N[6]C[6]2H)(H)2	H(CC[5]N[6]H)	H(CC[5]N[6]H)	C(C[5]B[5]C[5]H)(N[6]C[6]2H)(H)2	H(CC[5]N[6]H)	H(CC[5]N[6]H)	107.4910	0.000	1	107.4910	0.000	1	107.4910	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(PC[6a]2O)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5,6a]C[5]C)(PC[6a]2O)(H)2	H(CC[5]HP)	H(CC[5]HP)	106.9450	0.000	1	106.9450	0.000	1	107.9947	0.690	48	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(PCCS)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]2Fe)(PCCS)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.8800	0.000	1	107.8800	0.000	1	107.9947	0.690	48	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(PC[6a]2Au)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]2Fe)(PC[6a]2Au)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.9220	0.000	1	107.9220	0.000	1	107.9947	0.690	48	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(PC[6a]2C[5])(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]2Fe)(PC[6a]2C[5])(H)2	H(CC[5]HP)	H(CC[5]HP)	107.8120	0.000	1	107.8120	0.000	1	107.9947	0.690	48	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(PC[6a]2Pd)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]2Fe)(PC[6a]2Pd)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.1790	0.004	2	107.1790	0.000	2	107.9947	0.690	48	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(PC[6a]2Ru)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]2Fe)(PC[6a]2Ru)(H)2	H(CC[5]HP)	H(CC[5]HP)	106.8910	0.000	1	106.8910	0.000	1	107.9947	0.690	48	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(PC[6a]3)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]2Fe)(PC[6a]3)(H)2	H(CC[5]HP)	H(CC[5]HP)	108.2380	1.377	2	108.2380	1.897	2	107.9947	0.690	48	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(PC[6a]C[6]2)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]2Fe)(PC[6a]C[6]2)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.2700	0.000	1	107.2700	0.000	1	107.9947	0.690	48	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(PCuHH)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]2Fe)(PCuHH)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.9070	0.000	1	107.9070	0.000	1	107.9947	0.690	48	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(PFe2C)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]2Fe)(PFe2C)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.8550	0.000	1	107.8550	0.000	1	107.9947	0.690	48	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(PFe2H)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]2Fe)(PFe2H)(H)2	H(CC[5]HP)	H(CC[5]HP)	108.3785	0.223	2	108.3785	0.050	2	107.9947	0.690	48	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(PIrCC)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]2Fe)(PIrCC)(H)2	H(CC[5]HP)	H(CC[5]HP)	108.6202	0.085	4	108.6202	0.007	4	107.9947	0.690	48	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(PMoHH)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]2Fe)(PMoHH)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.8330	0.277	2	107.8330	0.077	2	107.9947	0.690	48	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(PPdCC)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]2Fe)(PPdCC)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.1375	0.234	2	107.1375	0.055	2	107.9947	0.690	48	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(PRu3)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]2Fe)(PRu3)(H)2	H(CC[5]HP)	H(CC[5]HP)	108.2210	0.148	2	108.2210	0.022	2	107.9947	0.690	48	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(PC3)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]2H)(PC3)(H)2	H(CC[5]HP)	H(CC[5]HP)	106.4740	0.000	1	106.4740	0.000	1	107.9947	0.690	48	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(PC[6a]2O)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]2H)(PC[6a]2O)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.4425	0.332	2	107.4425	0.110	2	107.9947	0.690	48	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Re)(PC[6a]2Re)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]2Re)(PC[6a]2Re)(H)2	H(CC[5]HP)	H(CC[5]HP)	110.0400	0.252	2	110.0400	0.063	2	107.9947	0.690	48	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ru)(PPdCC)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]2Ru)(PPdCC)(H)2	H(CC[5]HP)	H(CC[5]HP)	108.6446	0.087	7	108.6446	0.008	7	107.9947	0.690	48	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(PC[6a]2Mo)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]N[5]H)(PC[6a]2Mo)(H)2	H(CC[5]HP)	H(CC[5]HP)	108.3970	0.325	2	108.3970	0.106	2	107.9947	0.690	48	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(PC[6a]2Ru)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]N[5]H)(PC[6a]2Ru)(H)2	H(CC[5]HP)	H(CC[5]HP)	109.5280	0.000	1	109.5280	0.000	1	107.9947	0.690	48	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(PC[6a]2Cu)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]C[5]O[5]H)(PC[6a]2Cu)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.3764	0.555	7	107.3764	0.308	7	107.9947	0.690	48	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2H)(PC[6a]2Ru)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]O[5]2H)(PC[6a]2Ru)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.6480	0.000	1	107.6480	0.000	1	107.9947	0.690	48	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2H)(PC[6a]3)(H)2	H(CC[5]HP)	H(CC[5]HP)	C(C[5]O[5]2H)(PC[6a]3)(H)2	H(CC[5]HP)	H(CC[5]HP)	107.2540	0.000	1	107.2540	0.000	1	107.9947	0.690	48	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:P[6]-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(P[6]C[6]2S)(H)2	H(CC[5]P[6]H)	H(CC[5]P[6]H)	C(C[5]C[5]2Fe)(P[6]C[6]2S)(H)2	H(CC[5]P[6]H)	H(CC[5]P[6]H)	107.8610	0.000	1	107.8610	0.000	1	107.8610	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(SC[5a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5,5]C[5]H)(SC[5a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.3550	0.000	1	107.3550	0.000	1	107.6732	0.379	30	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5,5]C[5]H)(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.4240	0.119	2	107.4240	0.014	2	107.6732	0.379	30	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]N[5]H)(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5,5]N[5]H)(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.5860	0.084	4	107.5860	0.007	4	107.6732	0.379	30	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2S)(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5,6a]2S)(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.3800	0.000	1	107.3800	0.000	1	107.6732	0.379	30	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5,6a]C[5]C)(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.1350	0.000	1	107.1350	0.000	1	107.6732	0.379	30	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(SNOO)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5,6a]C[5]C)(SNOO)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.4050	0.000	1	107.4050	0.000	1	107.6732	0.379	30	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5,5]H)(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5,6a]N[5,5]H)(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	109.4735	1.105	2	109.4735	1.221	2	107.6732	0.379	30	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]H)(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5,6a]N[5]H)(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	106.9835	0.008	2	106.9835	0.000	2	107.6732	0.379	30	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]N[5]H)(SFOO)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5,6a]N[5]H)(SFOO)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.5590	0.000	1	107.5590	0.000	1	107.6732	0.379	30	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]O[5]H)(SFOO)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5,6a]O[5]H)(SFOO)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.7530	0.000	1	107.7530	0.000	1	107.6732	0.379	30	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C)(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]2C)(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.1145	0.350	2	107.1145	0.123	2	107.6732	0.379	30	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(SCOO)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]2Fe)(SCOO)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.9960	0.079	2	107.9960	0.006	2	107.6732	0.379	30	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]2Fe)(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.8620	0.098	2	107.8620	0.010	2	107.6732	0.379	30	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]2H)(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	108.0040	0.000	1	108.0040	0.000	1	107.6732	0.379	30	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(SC[6a]NO)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]N[5]H)(SC[6a]NO)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.7400	0.000	1	107.7400	0.000	1	107.6732	0.379	30	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]N[5]H)(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	108.0640	0.000	1	108.0640	0.000	1	107.6732	0.379	30	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(SNOO)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]N[5]H)(SNOO)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.7395	0.011	2	107.7395	0.000	2	107.6732	0.379	30	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[5]O[5]H)(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.5610	0.000	1	107.5610	0.000	1	107.6732	0.379	30	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]2)(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]C[6a]C[5]2)(SC[6a]OO)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.1950	0.000	1	107.1950	0.000	1	107.6732	0.379	30	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[5]N[5,5]C[5]H)(SC[6a]NO)(H)2	H(CC[5]HS)	H(CC[5]HS)	C(C[5]N[5,5]C[5]H)(SC[6a]NO)(H)2	H(CC[5]HS)	H(CC[5]HS)	107.5150	0.000	1	107.5150	0.000	1	107.6732	0.379	30	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]N[5,5]H)(SiC[6a]CC)(H)2	H(CC[5]SiH)	H(CC[5]SiH)	C(C[5]C[5,5]N[5,5]H)(SiC[6a]CC)(H)2	H(CC[5]SiH)	H(CC[5]SiH)	107.3060	0.000	1	107.3060	0.000	1	106.7465	0.182	10	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]H)(SiC[6a]CC)(H)2	H(CC[5]SiH)	H(CC[5]SiH)	C(C[5]C[5,6]C[5]H)(SiC[6a]CC)(H)2	H(CC[5]SiH)	H(CC[5]SiH)	107.2670	0.000	1	107.2670	0.000	1	106.7465	0.182	10	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(SiCl3)(H)2	H(CC[5]SiH)	H(CC[5]SiH)	C(C[5]C[5,6a]C[5]H)(SiCl3)(H)2	H(CC[5]SiH)	H(CC[5]SiH)	107.2110	0.000	1	107.2110	0.000	1	106.7465	0.182	10	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]N)(SiC3)(H)2	H(CC[5]SiH)	H(CC[5]SiH)	C(C[5]C[5,6a]C[5]N)(SiC3)(H)2	H(CC[5]SiH)	H(CC[5]SiH)	106.4367	0.182	6	106.4367	0.033	6	106.7465	0.182	10	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[5]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(SiC3)(H)2	H(CC[5]SiH)	H(CC[5]SiH)	C(C[5]C[5]2H)(SiC3)(H)2	H(CC[5]SiH)	H(CC[5]SiH)	107.0610	0.000	1	107.0610	0.000	1	106.7465	0.182	10	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3,6,6]C[3x6]H)(CC[5a]C[6a]H)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[3,6,6]C[3x6]H)(CC[5a]C[6a]H)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.2100	0.000	1	107.2100	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3,6,6]C[3x6]H)(CC[5a]C[6a]O)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[3,6,6]C[3x6]H)(CC[5a]C[6a]O)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.1740	0.000	1	107.1740	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]2C)(CCHH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[3x6]2C)(CCHH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	109.4580	0.000	1	109.4580	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]2H)(CCHH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[3x6]2H)(CCHH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.3210	0.000	2	107.3210	0.000	2	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.4780	0.000	1	107.4780	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.8060	0.000	1	107.8060	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.7128	0.136	10	107.7128	0.019	10	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]O)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6]O)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.2575	0.387	2	107.2575	0.150	2	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6]2)(CC[5a]HO)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6]2)(CC[5a]HO)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.4700	0.000	1	107.4700	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	106.3467	1.690	7	106.3467	2.855	7	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]N[6,6]H)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[3x6]N[6,6]H)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.6760	0.000	1	107.6760	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[4,6,6]C[6,6]N)(CF3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[4,6,6]C[6,6]N)(CF3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.2515	0.035	2	107.2515	0.001	2	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,5,3x6]C[6,6]C)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[5,5,3x6]C[6,6]C)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.5140	0.000	1	107.5140	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.5158	0.083	12	107.5158	0.007	12	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6,6]C[3,6]C[6])(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[5,6,6]C[3,6]C[6])(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.3950	0.114	4	107.3950	0.013	4	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6,6]C[3x6]H)(CCHH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[5,6,6]C[3x6]H)(CCHH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.8800	0.000	1	107.8800	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6,6]C[6,6]H)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[5,6,6]C[6,6]H)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.8800	0.000	1	107.8800	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6,6]C[6,6]O)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[5,6,6]C[6,6]O)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	105.4820	0.000	1	105.4820	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.3884	0.179	16	107.3884	0.032	16	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6,6]C[6]2)(CHHO)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[5,6,6]C[6]2)(CHHO)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	106.9963	0.736	3	106.9963	0.542	3	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,6]N[6,6]C[6])(CCHH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[5,6]N[6,6]C[6])(CCHH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	108.3870	0.000	1	108.3870	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5a,6,6]C[6]2)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[5a,6,6]C[6]2)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.4800	0.000	1	107.4800	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5a,6,6]C[6]2)(CHHN)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[5a,6,6]C[6]2)(CHHN)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.4800	0.000	1	107.4800	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5a,6]N[6,6]C[6])(CCHH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[5a,6]N[6,6]C[6])(CCHH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.1640	0.287	2	107.1640	0.082	2	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5a,6]N[6,6]C[6])(CC[6a]HH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[5a,6]N[6,6]C[6])(CC[6a]HH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.6540	0.000	1	107.6540	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]2C[5])(CHHO)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[6,6]2C[5])(CHHO)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.0630	0.519	2	107.0630	0.269	2	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]2H)(CCHH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[6,6]2H)(CCHH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	106.8300	0.000	1	106.8300	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]2H)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[6,6]2H)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	104.8690	0.000	1	104.8690	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]2H)(CHHO)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[6,6]2H)(CHHO)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	108.4950	0.000	1	108.4950	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]2O)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[6,6]2O)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.5320	0.000	1	107.5320	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]C[6]2)(CCCH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[6,6]C[6]2)(CCCH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.3635	0.005	2	107.3635	0.000	2	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]C[6]2)(CCFF)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[6,6]C[6]2)(CCFF)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	106.9520	0.000	1	106.9520	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]C[6]2)(CCHH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[6,6]C[6]2)(CCHH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.4910	0.000	1	107.4910	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]C[6]2)(CF3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[6,6]C[6]2)(CF3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	106.8800	0.000	1	106.8800	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.3851	0.172	7	107.3851	0.030	7	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]C[6]2)(CHHO)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[6,6]C[6]2)(CHHO)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	105.4960	0.000	1	105.4960	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]C[6]2)(CHHS)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[6,6]C[6]2)(CHHS)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.6560	0.000	1	107.6560	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6a]C[6,6]C[6])(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[6,6a]C[6,6]C[6])(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.5420	0.000	1	107.5420	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6a]C[6,6]C[6])(CHHN)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[6,6a]C[6,6]C[6])(CHHN)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.2340	0.000	1	107.2340	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6a]C[6,6]C[6])(CHHO)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[6,6a]C[6,6]C[6])(CHHO)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.1850	0.000	1	107.1850	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6a]O[6,6]C[6])(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]C[6,6a]O[6,6]C[6])(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.5980	0.000	1	107.5980	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]N[6,6]C[6]2)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]N[6,6]C[6]2)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.3730	0.000	1	107.3730	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]N[6,6]P[6]2)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]N[6,6]P[6]2)(CH3)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.3630	0.007	2	107.3630	0.000	2	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]O[6,6]C[6]O[6])(CCHH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	C(C[6,6]O[6,6]C[6]O[6])(CCHH)(H)2	H(CC[6,6]CH)	H(CC[6,6]CH)	107.4170	0.000	1	107.4170	0.000	1	107.3240	0.499	103	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[5,3x6]C[6,6]C)(C[5]C[5]O[5]C)(H)2	H(CC[6,6]C[5]H)	H(CC[6,6]C[5]H)	C(C[6,6]C[5,3x6]C[6,6]C)(C[5]C[5]O[5]C)(H)2	H(CC[6,6]C[5]H)	H(CC[6,6]C[5]H)	107.7530	0.000	1	107.7530	0.000	1	107.7530	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]C[6]O[6])(C[6]C[6]2H)(H)2	H(CC[6,6]C[6]H)	H(CC[6,6]C[6]H)	C(C[6,6]C[6,6]C[6]O[6])(C[6]C[6]2H)(H)2	H(CC[6,6]C[6]H)	H(CC[6,6]C[6]H)	106.9270	0.000	1	106.9270	0.000	1	106.9270	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(NCHH)(H)2	H(CC[6,6]HN)	H(CC[6,6]HN)	C(C[6,6]C[3x6]C[6,6]H)(NCHH)(H)2	H(CC[6,6]HN)	H(CC[6,6]HN)	107.9450	0.000	1	107.9450	0.000	1	107.9450	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(PPdCC)(H)2	H(CC[6,6]HP)	H(CC[6,6]HP)	C(C[6,6]C[3x6]C[6,6]H)(PPdCC)(H)2	H(CC[6,6]HP)	H(CC[6,6]HP)	107.1910	0.088	2	107.1910	0.008	2	107.1910	0.008	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[4,6,6]C[6,6]H)(SCOO)(H)2	H(CC[6,6]HS)	H(CC[6,6]HS)	C(C[6,6]C[4,6,6]C[6,6]H)(SCOO)(H)2	H(CC[6,6]HS)	H(CC[6,6]HS)	107.8835	0.275	2	107.8835	0.076	2	107.8835	0.076	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6,6]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[6,6]2O)(SiC3)(H)2	H(CC[6,6]SiH)	H(CC[6,6]SiH)	C(C[6,6]C[6,6]2O)(SiC3)(H)2	H(CC[6,6]SiH)	H(CC[6,6]SiH)	106.9010	0.000	1	106.9010	0.000	1	106.9010	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:As-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(AsGaCC)(H)2	H(CC[6]AsH)	H(CC[6]AsH)	C(C[6]C[6]2C)(AsGaCC)(H)2	H(CC[6]AsH)	H(CC[6]AsH)	106.9500	0.000	1	106.9500	0.000	1	106.9500	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:B-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(BC[6a]3)(H)2	H(CC[6]BH)	H(CC[6]BH)	C(C[6]C[6]N[6]H)(BC[6a]3)(H)2	H(CC[6]BH)	H(CC[6]BH)	106.2120	0.000	1	106.2120	0.000	1	106.2120	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]B[6]P[6]H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]B[6]P[6]H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4010	0.000	1	107.4010	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,6]C[6,6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[3,6]C[6,6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8930	0.000	1	107.8930	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,6]C[6,6]O)(CC[5a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[3,6]C[6,6]O)(CC[5a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	113.1990	0.000	1	113.1990	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,6]C[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[3,6]C[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.8730	0.000	1	106.8730	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,6]C[6]C)(CF3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[3,6]C[6]C)(CF3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.0673	0.120	4	107.0673	0.014	4	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,6]C[6]H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[3,6]C[6]H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7150	0.011	2	107.7150	0.000	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,6]N[6]H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[3,6]N[6]H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8410	0.000	1	107.8410	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,6]O[6]H)(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[3,6]O[6]H)(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3990	0.000	1	107.3990	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[3]S[6]2)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[3]S[6]2)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5340	0.000	1	107.5340	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[3x6]C[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[3x6]C[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6170	0.000	1	107.6170	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[3x6]C[6]C)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[3x6]C[6]C)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.6380	0.000	2	108.6380	0.000	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4140	0.264	25	107.4140	0.070	25	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[3x6]N[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[3x6]N[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.4215	1.572	2	108.4215	2.471	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[4]C[6]O[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[4]C[6]O[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2482	0.087	5	107.2482	0.008	5	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[4]C[6]O[6])(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[4]C[6]O[6])(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3200	0.000	1	107.3200	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[4]O[6]2)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[4]O[6]2)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	109.4800	0.000	1	109.4800	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,5,6,6]N[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,5,6,6]N[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3270	0.000	1	107.3270	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6,6]C[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6,6]C[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5100	0.000	1	107.5100	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]2H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]2H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7970	0.000	1	107.7970	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6,6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6,6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8050	0.000	1	107.8050	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6,6]O)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6,6]O)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.7930	0.000	1	106.7930	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2806	0.221	10	107.2806	0.049	10	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2430	0.176	3	107.2430	0.031	3	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]C)(CC[5]HO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]C)(CC[5]HO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.0535	0.023	2	107.0535	0.001	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]C)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]C)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4156	0.083	5	107.4156	0.007	5	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2566	1.175	38	107.2566	1.381	38	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(CCHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CCHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.0625	0.087	2	107.0625	0.008	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(CC[3x6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CC[3x6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.2280	0.000	1	108.2280	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(CC[5,6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CC[5,6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	110.4770	0.000	1	110.4770	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4000	0.137	3	107.4000	0.019	3	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6702	0.240	5	107.6702	0.058	5	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7157	0.207	3	107.7157	0.043	3	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6539	0.652	14	107.6539	0.425	14	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]N)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]N)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5510	0.000	1	107.5510	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]O)(CC[5,5,6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]O)(CC[5,5,6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.1320	0.000	1	107.1320	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]O)(CC[5]CH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]O)(CC[5]CH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.0680	0.000	1	107.0680	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4730	0.000	1	107.4730	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]S)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6]S)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.9750	0.000	1	106.9750	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6a]C[6])(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]C[6a]C[6])(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.1050	0.000	1	107.1050	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]N[6,6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]N[6,6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.0040	0.000	1	108.0040	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]N[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]N[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3180	0.000	1	107.3180	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]N[6]H)(CC[5]CH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]N[6]H)(CC[5]CH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4385	0.035	2	107.4385	0.001	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]O[6]H)(CCCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]O[6]H)(CCCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5910	0.306	3	107.5910	0.093	3	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]O[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]O[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	109.2195	0.861	2	109.2195	0.741	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]O[6]H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]O[6]H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8270	0.000	1	107.8270	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]O[6]H)(CHSS)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]O[6]H)(CHSS)(H)2	H(CC[6]CH)	H(CC[6]CH)	110.2730	0.000	1	110.2730	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]O[6]O)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5,6]O[6]O)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6920	0.000	1	107.6920	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5]C[6]2)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5]C[6]2)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	109.2850	0.000	1	109.2850	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5a,6]C[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3867	0.290	3	107.3867	0.084	3	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4552	0.153	6	107.4552	0.023	6	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4565	0.214	4	107.4565	0.046	4	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6]H)(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5a,6]C[6]H)(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6610	0.000	1	107.6610	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6]H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5a,6]C[6]H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4190	0.000	1	107.4190	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6]H)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5a,6]C[6]H)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6060	0.000	1	107.6060	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6]O)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5a,6]C[6]O)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3880	0.000	1	107.3880	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]N[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5a,6]N[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2175	0.367	2	107.2175	0.135	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]N[6]C)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5a,6]N[6]C)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6088	0.109	8	107.6088	0.012	8	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]N[6]H)(CC3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5a,6]N[6]H)(CC3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6620	0.000	1	107.6620	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8620	0.277	2	107.8620	0.077	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]N[6]H)(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[5a,6]N[6]H)(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6010	0.000	1	107.6010	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]2H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]2H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5520	0.051	2	107.5520	0.003	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]2H)(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]2H)(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.7780	0.000	1	108.7780	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5918	1.121	37	107.5918	1.256	37	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]C)(CC[5]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CC[5]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3633	0.122	3	107.3633	0.015	3	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]C)(CC[5a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CC[5a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.1720	1.376	2	108.1720	1.893	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]C)(CC[5a]HO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CC[5a]HO)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.9110	0.000	1	106.9110	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]C)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3730	0.157	2	107.3730	0.025	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]C)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.1955	0.667	6	107.1955	0.445	6	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]C)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	109.4883	0.028	3	109.4883	0.001	3	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4504	0.129	10	107.4504	0.017	10	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2712	1.442	36	107.2712	2.080	36	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(CCHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CCHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.4525	1.788	2	106.4525	3.198	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(CC[3]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[3]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2130	0.000	1	107.2130	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(CC[4]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[4]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5980	0.000	1	107.5980	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(CC[5,5]HO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[5,5]HO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3280	0.000	1	107.3280	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(CC[5]2H)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[5]2H)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5580	0.080	3	107.5580	0.006	3	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(CC[5]CH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[5]CH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8170	0.000	1	107.8170	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.0680	1.838	5	108.0680	3.379	5	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(CC[5a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[5a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	110.6000	0.000	1	110.6000	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7483	0.139	12	107.7483	0.019	12	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	109.1805	1.790	2	109.1805	3.203	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6376	0.161	7	107.6376	0.026	7	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.0738	0.867	4	108.0738	0.751	4	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]O)(CC[5]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]O)(CC[5]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	105.9820	0.000	1	105.9820	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]O)(CC[5a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6]O)(CC[5a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.1515	0.334	4	107.1515	0.112	4	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6a]C[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]C[6a]C[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4100	0.000	1	107.4100	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]N[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]N[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	102.7540	0.000	1	102.7540	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6390	0.629	3	107.6390	0.395	3	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]O[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]O[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.0870	0.424	2	107.0870	0.180	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]O[6]H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6]O[6]H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.9920	0.491	2	107.9920	0.241	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]2C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]2C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.9083	1.247	3	106.9083	1.556	3	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]2C[6a])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]2C[6a])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4980	0.000	1	107.4980	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]2H)(CCCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]2H)(CCCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5170	0.000	1	107.5170	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]2H)(CCCN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]2H)(CCCN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3195	0.121	2	107.3195	0.015	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]2H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]2H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7630	0.000	1	107.7630	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]2H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]2H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7893	0.096	8	107.7893	0.009	8	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]2N)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]2N)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8650	0.000	1	107.8650	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]2O)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]2O)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4190	0.161	2	107.4190	0.026	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[5,6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[5,6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4850	0.000	1	107.4850	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[5,6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[5,6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3120	0.000	1	107.3120	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[5,6]O)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[5,6]O)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3600	0.093	2	107.3600	0.009	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(CC3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]C)(CC3)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.5940	0.000	1	106.5940	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(CCCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]C)(CCCO)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.5710	0.000	1	106.5710	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(CCFF)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]C)(CCFF)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2190	0.000	1	107.2190	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3767	0.365	6	107.3767	0.133	6	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(CF3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]C)(CF3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3490	0.248	3	107.3490	0.062	3	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(CFFH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]C)(CFFH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4410	0.129	2	107.4410	0.017	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]C)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5102	0.112	9	107.5102	0.012	9	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(CHHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]C)(CHHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2430	0.000	1	107.2430	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]Cu)(CHHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]Cu)(CHHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8020	0.000	1	107.8020	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(CCCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(CCCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6160	0.000	1	107.6160	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5710	0.314	12	107.5710	0.098	12	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(CF3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(CF3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6890	0.000	1	107.6890	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7233	0.197	6	107.7233	0.039	6	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7810	0.000	1	107.7810	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(CHHS)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(CHHS)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.0530	0.000	1	108.0530	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]O)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]O)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5180	0.000	1	107.5180	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]O)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]O)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6693	0.157	4	107.6693	0.025	4	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6a]C[6])(CC3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6a]C[6])(CC3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.1780	0.000	1	107.1780	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6a]C[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6a]C[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2380	0.000	1	107.2380	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6a]C[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6a]C[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.1865	0.015	2	107.1865	0.000	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6a]N[6])(CC[6a]2H)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6a]N[6])(CC[6a]2H)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.1730	0.000	1	107.1730	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6,6]H)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]N[6,6]H)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7720	0.027	2	107.7720	0.001	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]N[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2870	0.045	2	107.2870	0.002	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6]C)(CCHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]N[6]C)(CCHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3290	0.000	1	107.3290	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6]C)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]N[6]C)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4720	0.157	2	107.4720	0.025	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8140	0.482	2	107.8140	0.233	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6]H)(CC[6a]HO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]N[6]H)(CC[6a]HO)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.1330	0.000	1	108.1330	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6]H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]N[6]H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	110.9660	0.000	1	110.9660	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]O[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]O[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3630	0.066	2	107.3630	0.004	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]O[6]C)(CF3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]O[6]C)(CF3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.0540	0.000	1	107.0540	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]O[6]C)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]O[6]C)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4730	0.016	2	107.4730	0.000	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]P[6]H)(CC[6a]HO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6,6a]P[6]H)(CC[6a]HO)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.9270	0.000	1	108.9270	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Br)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2Br)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4860	0.000	1	107.4860	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CCCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CCCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.1513	0.044	3	107.1513	0.002	3	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3282	0.731	86	107.3282	0.534	86	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CCHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CCHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.0300	0.069	3	107.0300	0.005	3	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CCHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CCHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.9397	0.115	3	106.9397	0.013	3	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CC[3,6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CC[3,6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.7340	0.000	1	106.7340	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CC[3]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CC[3]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2590	0.000	1	107.2590	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CC[5]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CC[5]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.1770	0.000	1	107.1770	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CC[5]HO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CC[5]HO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.1460	0.000	1	107.1460	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CC[5a]CH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CC[5a]CH)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.8650	0.107	2	106.8650	0.012	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.6105	0.120	2	106.6105	0.014	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CC[6]HO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CC[6]HO)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.3837	0.389	4	106.3837	0.151	4	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CC[6a]CC)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CC[6a]CC)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.7520	0.000	1	106.7520	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CCl3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CCl3)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.8250	0.000	1	106.8250	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CF3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CF3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2350	0.000	1	107.2350	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6684	0.944	102	107.6684	0.891	102	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.0756	1.223	14	107.0756	1.497	14	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CHHS)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CHHS)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6700	0.225	2	107.6700	0.051	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CHSS)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CHSS)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3410	0.000	1	107.3410	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CN[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CN[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5290	0.000	1	107.5290	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(CSeHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2C)(CSeHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	105.8825	0.834	2	105.8825	0.695	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Cl)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2Cl)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4590	0.000	1	107.4590	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Co)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2Co)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4790	0.189	4	107.4790	0.036	4	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Cr)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2Cr)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7045	0.414	2	107.7045	0.171	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Cr)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2Cr)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.9800	0.000	1	107.9800	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Cr)(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2Cr)(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5160	0.000	1	107.5160	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Cr)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2Cr)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6566	0.320	19	107.6566	0.102	19	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Cr)(CHHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2Cr)(CHHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	111.9730	0.000	1	111.9730	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Cr)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2Cr)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	113.7970	0.000	1	113.7970	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2F)(CCHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2F)(CCHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3450	0.000	1	107.3450	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CBHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CBHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3730	0.000	1	107.3730	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CB[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CB[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	104.9810	3.916	2	104.9810	15.335	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CCCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CCCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2200	0.000	1	107.2200	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CCCN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CCCN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2338	0.196	5	107.2338	0.038	5	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CCCW)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CCCW)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.2030	0.000	1	108.2030	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6966	0.939	128	107.6966	0.882	128	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CCHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CCHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6967	0.121	7	107.6967	0.015	7	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CCHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CCHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4773	0.310	7	107.4773	0.096	7	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CC[3]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CC[3]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8700	0.000	1	107.8700	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CC[5,6]HO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CC[5,6]HO)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.8460	0.000	1	106.8460	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CC[5]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CC[5]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5353	0.196	3	107.5353	0.038	3	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CC[5]HN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CC[5]HN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4620	0.000	1	107.4620	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CC[5a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CC[5a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.2480	0.000	1	108.2480	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CC[6]CH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CC[6]CH)(H)2	H(CC[6]CH)	H(CC[6]CH)	110.1260	0.000	1	110.1260	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7836	0.912	7	107.7836	0.832	7	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CC[6a]CC)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CC[6a]CC)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2470	0.165	2	107.2470	0.027	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CC[6a]CH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CC[6a]CH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8150	0.910	5	107.8150	0.828	5	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4109	0.996	8	107.4109	0.993	8	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CClHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CClHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5930	0.095	2	107.5930	0.009	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CCoCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CCoCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4940	0.000	1	107.4940	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6428	2.134	59	107.6428	4.556	59	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CHHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CHHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.0943	0.829	4	108.0943	0.687	4	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6124	0.173	12	107.6124	0.030	12	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CHSS)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CHSS)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4850	0.000	1	107.4850	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(CN[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2H)(CN[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.9215	0.050	2	106.9215	0.003	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Mn)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2Mn)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8700	0.407	5	107.8700	0.166	5	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2N)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2N)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3123	1.515	4	107.3123	2.294	4	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2N)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2N)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5707	1.128	7	107.5707	1.272	7	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2N[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2N[6])(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8845	0.112	2	107.8845	0.013	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2O)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.8526	0.804	9	106.8526	0.647	9	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O)(CCHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2O)(CCHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5630	0.000	1	107.5630	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O)(CC[4]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2O)(CC[4]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.1250	0.000	1	107.1250	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2O)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.9930	1.588	2	107.9930	2.522	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O)(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2O)(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4967	0.090	3	107.4967	0.008	3	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2O)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5553	0.096	6	107.5553	0.009	6	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2O)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.9350	0.000	1	107.9350	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Re)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2Re)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8976	0.186	5	107.8976	0.034	5	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Rh)(CHHP)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2Rh)(CHHP)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.0770	0.000	1	108.0770	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Ru)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2Ru)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8044	1.917	18	107.8044	3.673	18	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Ru)(CCHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2Ru)(CCHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.2400	0.295	3	108.2400	0.087	3	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Ru)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2Ru)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.8821	0.678	17	108.8821	0.459	17	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Ru)(CHHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2Ru)(CHHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	109.0025	0.747	2	109.0025	0.559	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Ru)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2Ru)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5750	0.000	1	107.5750	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Ru)(CHHP)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2Ru)(CHHP)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.0637	0.277	4	108.0637	0.077	4	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Ru)(CN[5]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2Ru)(CN[5]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.0805	0.083	4	108.0805	0.007	4	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2S)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2S)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.5217	1.149	4	106.5217	1.320	4	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2V)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]2V)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6035	0.164	4	107.6035	0.027	4	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]3)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]3)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6060	0.082	3	107.6060	0.007	3	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5030	0.000	1	107.5030	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]C)(CHHS)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6]C)(CHHS)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8570	0.000	1	107.8570	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(CCCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CCCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3160	1.252	20	107.3160	1.568	20	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7422	1.404	40	107.7422	1.971	40	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(CCHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CCHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.1640	0.000	1	107.1640	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(CCHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CCHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5381	0.281	7	107.5381	0.079	7	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(CC[5]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CC[5]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7705	0.056	2	107.7705	0.003	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	109.4680	0.000	1	109.4680	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.1371	0.866	7	108.1371	0.750	7	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(CC[6a]HO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CC[6a]HO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5690	0.000	1	107.5690	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7386	0.242	17	107.7386	0.058	17	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8730	0.196	3	107.8730	0.038	3	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(CHHS)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CHHS)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7130	0.000	1	107.7130	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]O)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6]O)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.6040	0.000	1	106.6040	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]O)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6]O)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5580	0.000	1	107.5580	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]O[6])(CC[6a]HS)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]N[6]O[6])(CC[6a]HS)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2820	0.000	1	107.2820	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2373	1.491	29	107.2373	2.222	29	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]C)(CC[3]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]C)(CC[3]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4450	0.000	1	107.4450	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4441	1.268	14	107.4441	1.609	14	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]C)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]C)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.0760	1.221	4	108.0760	1.491	4	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]C)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]C)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5318	0.163	6	107.5318	0.027	6	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]C)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]C)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.2720	1.037	4	108.2720	1.075	4	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(CC3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CC3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3700	0.154	2	107.3700	0.024	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(CCCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CCCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.0702	0.979	6	108.0702	0.959	6	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6531	0.843	36	107.6531	0.711	36	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(CCHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CCHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5742	0.184	10	107.5742	0.034	10	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(CC[3]HO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CC[3]HO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4780	0.167	2	107.4780	0.028	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6158	0.165	6	107.6158	0.027	6	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6575	0.293	13	107.6575	0.086	13	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7844	0.315	5	107.7844	0.099	5	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CHHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7160	0.125	9	107.7160	0.016	9	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(CHHS)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CHHS)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7470	0.000	1	107.7470	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(CN[5a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CN[5a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.5595	0.132	2	107.5595	0.017	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]Ir)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]Ir)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4250	0.000	1	107.4250	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]O)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]O)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.7560	0.000	1	106.7560	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]O)(CCHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]O)(CCHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.9595	0.450	2	107.9595	0.203	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]O)(CC[6]HO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]O)(CC[6]HO)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.0420	0.000	1	108.0420	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]O)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]O[6]O)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	103.7680	0.000	2	103.7680	0.000	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]P[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]P[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7650	0.000	1	107.7650	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]S[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]S[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2175	0.218	2	107.2175	0.048	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]S[6]H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6]S[6]H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6432	0.228	13	107.6432	0.052	13	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6a]C[6]2)(CCCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6a]C[6]2)(CCCH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2707	0.083	3	107.2707	0.007	3	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6a]C[6]2)(CC[6a]CH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6a]C[6]2)(CC[6a]CH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.0820	0.021	2	107.0820	0.000	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6a]C[6]2)(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6a]C[6]2)(CC[6a]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2870	0.000	1	107.2870	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6a]C[6]2)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6114	0.172	23	107.6114	0.030	23	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6a]C[6]N[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]C[6a]C[6]N[6])(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4450	0.000	1	107.4450	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]N[5,6]C[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]N[5,6]C[6]C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.0730	0.000	1	107.0730	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]N[5,6]C[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]N[5,6]C[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2570	0.000	1	107.2570	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6817	0.141	4	107.6817	0.020	4	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]N[5a,6]C[6]H)(CCHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]N[5a,6]C[6]H)(CCHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.1340	0.000	1	107.1340	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]N[6,6]C[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]N[6,6]C[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7590	0.000	1	107.7590	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]2C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]N[6]2C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.2277	0.172	28	107.2277	0.030	28	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]2C)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]N[6]2C)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	105.9710	2.500	12	105.9710	6.248	12	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]2H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]N[6]2H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7730	0.000	1	107.7730	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]O[6]H)(CHHS)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]N[6]O[6]H)(CHHS)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.9310	0.000	1	107.9310	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]O[6]2C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]O[6]2C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	106.7637	0.873	3	106.7637	0.763	3	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]O[6]2C)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]O[6]2C)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8646	1.136	28	107.8646	1.291	28	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]O[6]2H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]O[6]2H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.5542	2.803	13	108.5542	7.856	13	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]O[6]2H)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]O[6]2H)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6245	0.028	2	107.6245	0.001	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]O[6]2H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]O[6]2H)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6145	0.018	2	107.6145	0.000	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]O[6]2H)(CHHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]O[6]2H)(CHHN)(H)2	H(CC[6]CH)	H(CC[6]CH)	108.0385	0.233	2	108.0385	0.054	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]S[6]2C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]S[6]2C)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4409	0.124	14	107.4409	0.015	14	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]S[6]2C)(CCHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]S[6]2C)(CCHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.1080	0.000	1	107.1080	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]S[6]2C)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]S[6]2C)(CC[6]HH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.6177	0.148	3	107.6177	0.022	3	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]S[6]2H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]S[6]2H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.7277	0.202	6	107.7277	0.041	6	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]S[6]2H)(CCHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]S[6]2H)(CCHO)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.3540	0.000	1	107.3540	0.000	1	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]Si[6]C[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]Si[6]C[6]H)(CCHH)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.4210	0.020	2	107.4210	0.000	2	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(C[6]Si[6]C[6]Li)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	C(C[6]Si[6]C[6]Li)(CH3)(H)2	H(CC[6]CH)	H(CC[6]CH)	107.8257	0.140	3	107.8257	0.020	3	107.5723	1.153	1518	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C[3]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(C[3]C[3]O[3]H)(H)2	H(CC[3]C[6]H)	H(CC[3]C[6]H)	C(C[6]C[6,6a]C[6]H)(C[3]C[3]O[3]H)(H)2	H(CC[3]C[6]H)	H(CC[3]C[6]H)	106.6670	0.000	1	106.6670	0.000	1	106.6670	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	107.5600	0.000	1	107.5600	0.000	1	107.5660	0.016	3	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]C)(C[5]C[5]2H)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[6]C[6]O[6]C)(C[5]C[5]2H)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	107.6970	0.000	1	107.6970	0.000	1	107.5660	0.016	3	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6a]C[6]2)(C[5]C[5]2H)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	C(C[6]C[6a]C[6]2)(C[5]C[5]2H)(H)2	H(CC[5]C[6]H)	H(CC[5]C[6]H)	107.4410	0.000	1	107.4410	0.000	1	107.5660	0.016	3	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[3,6]C[6]C)(C[6]C[6]2C)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[3,6]C[6]C)(C[6]C[6]2C)(H)2	H(CC[6]2H)	H(CC[6]2H)	105.9910	0.000	1	105.9910	0.000	1	107.5288	0.727	45	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(C[6]C[6,6]O[6]H)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[5,6]C[6]H)(C[6]C[6,6]O[6]H)(H)2	H(CC[6]2H)	H(CC[6]2H)	107.4420	0.000	1	107.4420	0.000	1	107.5288	0.727	45	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]N[6]H)(C[6]C[6]2H)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[5a,6]N[6]H)(C[6]C[6]2H)(H)2	H(CC[6]2H)	H(CC[6]2H)	107.2242	0.236	4	107.2242	0.056	4	107.5288	0.727	45	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a]C[6]N[6])(C[6]C[6]2H)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[5a]C[6]N[6])(C[6]C[6]2H)(H)2	H(CC[6]2H)	H(CC[6]2H)	106.1350	0.000	1	106.1350	0.000	1	107.5288	0.727	45	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	H(CC[6]2H)	H(CC[6]2H)	106.9150	0.000	1	106.9150	0.000	1	107.5288	0.727	45	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(C[6]C[6]N[6]H)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6,6]C[6]H)(C[6]C[6]N[6]H)(H)2	H(CC[6]2H)	H(CC[6]2H)	107.3920	0.000	1	107.3920	0.000	1	107.5288	0.727	45	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]O[6]H)(C[6]C[6]O[6]C)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6,6]O[6]H)(C[6]C[6]O[6]C)(H)2	H(CC[6]2H)	H(CC[6]2H)	107.0670	0.000	1	107.0670	0.000	1	107.5288	0.727	45	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6,6]O)(C[6]C[6]2H)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6,6a]C[6,6]O)(C[6]C[6]2H)(H)2	H(CC[6]2H)	H(CC[6]2H)	106.8100	0.000	1	106.8100	0.000	1	107.5288	0.727	45	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]H)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]H)(H)2	H(CC[6]2H)	H(CC[6]2H)	107.2030	0.000	1	107.2030	0.000	1	107.5288	0.727	45	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]O)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]O)(H)2	H(CC[6]2H)	H(CC[6]2H)	107.5560	0.000	1	107.5560	0.000	1	107.5288	0.727	45	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Cr)(C[6]C[6]2H)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6]2Cr)(C[6]C[6]2H)(H)2	H(CC[6]2H)	H(CC[6]2H)	109.2683	1.647	3	109.2683	2.713	3	107.5288	0.727	45	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(C[6]C[6]3)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6]2H)(C[6]C[6]3)(H)2	H(CC[6]2H)	H(CC[6]2H)	106.6450	0.000	1	106.6450	0.000	1	107.5288	0.727	45	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)2(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6]2H)2(H)2	H(CC[6]2H)	H(CC[6]2H)	107.2206	0.301	9	107.2206	0.091	9	107.5288	0.727	45	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O)2(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6]2O)2(H)2	H(CC[6]2H)	H(CC[6]2H)	106.6270	0.000	1	106.6270	0.000	1	107.5288	0.727	45	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(H)2	H(CC[6]2H)	H(CC[6]2H)	107.4537	0.182	3	107.4537	0.033	3	107.5288	0.727	45	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(C[6]C[6]2C)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6]O[6]H)(C[6]C[6]2C)(H)2	H(CC[6]2H)	H(CC[6]2H)	107.1320	0.000	1	107.1320	0.000	1	107.5288	0.727	45	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(C[6]S[6]2C)(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6]O[6]H)(C[6]S[6]2C)(H)2	H(CC[6]2H)	H(CC[6]2H)	108.8625	0.037	2	108.8625	0.001	2	107.5288	0.727	45	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)2(H)2	H(CC[6]2H)	H(CC[6]2H)	C(C[6]C[6]O[6]H)2(H)2	H(CC[6]2H)	H(CC[6]2H)	107.8423	0.544	12	107.8423	0.296	12	107.5288	0.727	45	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:In-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(InIIP)(H)2	H(CC[6]InH)	H(CC[6]InH)	C(C[6]C[6]2H)(InIIP)(H)2	H(CC[6]InH)	H(CC[6]InH)	109.4460	0.000	1	109.4460	0.000	1	109.4460	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(NCCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[5,6]C[6]H)(NCCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	106.8500	0.000	1	106.8500	0.000	1	107.3536	47.201	67	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]O[6]H)(NBHO)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[5,6]O[6]H)(NBHO)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.8120	0.000	1	107.8120	0.000	1	107.3536	47.201	67	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]C)(NH3)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6,6]C[6]C)(NH3)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.5585	0.039	2	107.5585	0.002	2	107.3536	47.201	67	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(NCHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2C)(NCHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.5080	0.000	1	107.5080	0.000	1	107.3536	47.201	67	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(NH3)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2C)(NH3)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9895	0.843	12	107.9895	0.711	12	107.3536	47.201	67	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Cr)(NBCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2Cr)(NBCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	106.4710	0.000	1	106.4710	0.000	1	107.3536	47.201	67	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Cr)(NC3)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2Cr)(NC3)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.6260	0.044	2	107.6260	0.002	2	107.3536	47.201	67	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(NCCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2H)(NCCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.2913	0.340	7	107.2913	0.116	7	107.3536	47.201	67	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(NCHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2H)(NCHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	111.5830	0.000	1	111.5830	0.000	1	107.3536	47.201	67	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(NH3)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2H)(NH3)(H)2	H(CC[6]HN)	H(CC[6]HN)	105.5261	12.421	20	105.5261	154.286	20	107.3536	47.201	67	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Pt)(NPtCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2Pt)(NPtCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.9395	0.098	2	108.9395	0.010	2	107.3536	47.201	67	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Ru)(NH3)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2Ru)(NH3)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.7990	0.000	1	107.7990	0.000	1	107.3536	47.201	67	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Ru)(NPdCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2Ru)(NPdCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.1305	0.272	2	108.1305	0.074	2	107.3536	47.201	67	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Ru)(NPtCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]2Ru)(NPtCC)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.0970	0.286	2	108.0970	0.082	2	107.3536	47.201	67	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]C)(NCuCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6]C)(NCuCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.6923	1.444	3	108.6923	2.085	3	107.3536	47.201	67	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(NAlCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6]H)(NAlCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.7990	0.000	1	108.7990	0.000	1	107.3536	47.201	67	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(NCCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6]H)(NCCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.7250	0.000	1	107.7250	0.000	1	107.3536	47.201	67	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(NCoCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6]H)(NCoCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	115.1600	0.000	1	115.1600	0.000	1	107.3536	47.201	67	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(NFeCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6]H)(NFeCH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.4500	0.000	1	108.4500	0.000	1	107.3536	47.201	67	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(NH3)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]N[6]H)(NH3)(H)2	H(CC[6]HN)	H(CC[6]HN)	107.9500	0.089	2	107.9500	0.008	2	107.3536	47.201	67	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]O)(NCHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]O[6]O)(NCHH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.1225	0.250	2	108.1225	0.062	2	107.3536	47.201	67	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:N-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]O)(NC[5]HH)(H)2	H(CC[6]HN)	H(CC[6]HN)	C(C[6]C[6]O[6]O)(NC[5]HH)(H)2	H(CC[6]HN)	H(CC[6]HN)	108.1780	0.000	1	108.1780	0.000	1	107.3536	47.201	67	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:N[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(N[5]C[5]2H)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(C[6]C[6,6a]C[6]H)(N[5]C[5]2H)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	107.5340	0.000	1	107.5340	0.000	1	107.4838	0.034	4	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:N[5]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]C)(N[5]C[5]2H)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	C(C[6]C[6]O[6]C)(N[5]C[5]2H)(H)2	H(CC[6]N[5]H)	H(CC[6]N[5]H)	107.4670	0.222	3	107.4670	0.049	3	107.4838	0.034	4	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(N[6]C[6]2H)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	C(C[6]C[6]N[6]H)(N[6]C[6]2H)(H)2	H(CC[6]N[6]H)	H(CC[6]N[6]H)	107.4110	0.000	1	107.4110	0.000	1	107.4110	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6]H)(PC[6a]2O)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[5a,6]C[6]H)(PC[6a]2O)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.0560	0.000	1	108.0560	0.000	1	107.7438	0.573	50	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(PIrCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6,6]C[6]H)(PIrCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	107.6838	0.396	5	107.6838	0.157	5	107.7438	0.573	50	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(PCCO)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6,6a]C[6]C)(PCCO)(H)2	H(CC[6]HP)	H(CC[6]HP)	106.9700	0.000	1	106.9700	0.000	1	107.7438	0.573	50	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6a]C[6])(PC[6a]2O)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6,6a]C[6a]C[6])(PC[6a]2O)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.0690	0.000	1	108.0690	0.000	1	107.7438	0.573	50	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(PC[6a]2O)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]2C)(PC[6a]2O)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.9890	0.000	1	108.9890	0.000	1	107.7438	0.573	50	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(PC[6a]2O)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]2H)(PC[6a]2O)(H)2	H(CC[6]HP)	H(CC[6]HP)	107.6720	0.000	1	107.6720	0.000	1	107.7438	0.573	50	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(PC[6a]2Ru)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]2H)(PC[6a]2Ru)(H)2	H(CC[6]HP)	H(CC[6]HP)	107.0525	0.518	2	107.0525	0.269	2	107.7438	0.573	50	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(PFeCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]2H)(PFeCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	106.8284	0.355	10	106.8284	0.126	10	107.7438	0.573	50	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(PIrCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]2H)(PIrCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.1465	0.093	13	108.1465	0.009	13	107.7438	0.573	50	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(PPdCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]2H)(PPdCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	107.3618	1.163	5	107.3618	1.351	5	107.7438	0.573	50	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(PPtCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]2H)(PPtCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.3530	0.000	1	108.3530	0.000	1	107.7438	0.573	50	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(PRuCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]2H)(PRuCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.0545	0.047	2	108.0545	0.002	2	107.7438	0.573	50	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Ru)(PPdCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]2Ru)(PPdCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.3280	0.308	2	108.3280	0.095	2	107.7438	0.573	50	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Ru)(PRuCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]2Ru)(PRuCC)(H)2	H(CC[6]HP)	H(CC[6]HP)	108.8107	0.154	4	108.8107	0.024	4	107.7438	0.573	50	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:P-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(PC[6a]2Pd)(H)2	H(CC[6]HP)	H(CC[6]HP)	C(C[6]C[6]O[6]H)(PC[6a]2Pd)(H)2	H(CC[6]HP)	H(CC[6]HP)	107.5490	0.000	1	107.5490	0.000	1	107.7438	0.573	50	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)2	H(CC[6]HS)	H(CC[6]HS)	113.0300	0.000	1	113.0300	0.000	1	108.4186	5.451	12	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(SC[6a]OO)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6,6a]C[6]C)(SC[6a]OO)(H)2	H(CC[6]HS)	H(CC[6]HS)	106.8960	0.000	1	106.8960	0.000	1	108.4186	5.451	12	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.6230	0.181	2	107.6230	0.033	2	108.4186	5.451	12	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]O[6]H)(SC[6a]OO)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6,6a]O[6]H)(SC[6a]OO)(H)2	H(CC[6]HS)	H(CC[6]HS)	108.5310	0.000	1	108.5310	0.000	1	108.4186	5.451	12	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(SC[6a]OO)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]2C)(SC[6a]OO)(H)2	H(CC[6]HS)	H(CC[6]HS)	106.8345	0.110	2	106.8345	0.012	2	108.4186	5.451	12	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O)(SC[6a]OO)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]2O)(SC[6a]OO)(H)2	H(CC[6]HS)	H(CC[6]HS)	106.7515	0.011	2	106.7515	0.000	2	108.4186	5.451	12	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O)(SNOO)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]2O)(SNOO)(H)2	H(CC[6]HS)	H(CC[6]HS)	111.3450	2.536	2	111.3450	6.430	2	108.4186	5.451	12	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:S-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(SO3)(H)2	H(CC[6]HS)	H(CC[6]HS)	C(C[6]C[6]O[6]H)(SO3)(H)2	H(CC[6]HS)	H(CC[6]HS)	107.4580	0.000	1	107.4580	0.000	1	108.4186	5.451	12	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(SiC3)(H)2	H(CC[6]SiH)	H(CC[6]SiH)	C(C[6]C[6]2H)(SiC3)(H)2	H(CC[6]SiH)	H(CC[6]SiH)	107.1710	0.000	1	107.1710	0.000	1	107.0015	0.077	4	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2H)(SiC[6a]2C)(H)2	H(CC[6]SiH)	H(CC[6]SiH)	C(C[6]C[6]2H)(SiC[6a]2C)(H)2	H(CC[6]SiH)	H(CC[6]SiH)	106.6640	0.000	1	106.6640	0.000	1	107.0015	0.077	4	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Ru)(SiC3)(H)2	H(CC[6]SiH)	H(CC[6]SiH)	C(C[6]C[6]2Ru)(SiC3)(H)2	H(CC[6]SiH)	H(CC[6]SiH)	107.2790	0.000	1	107.2790	0.000	1	107.0015	0.077	4	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	C[6]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(SiC3)(H)2	H(CC[6]SiH)	H(CC[6]SiH)	C(C[6]C[6]N[6]H)(SiC3)(H)2	H(CC[6]SiH)	H(CC[6]SiH)	106.8920	0.000	1	106.8920	0.000	1	107.0015	0.077	4	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Ga-4:C-4:H-1:H-1:	C-4:	C-4:	C(GaBiCC)(CH3)(H)2	H(CGaCH)	H(CGaCH)	C(GaBiCC)(CH3)(H)2	H(CGaCH)	H(CGaCH)	107.4687	0.047	3	107.4687	0.002	3	106.2570	11.605	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Ga-4:C-4:H-1:H-1:	C-4:	C-4:	C(GaCOO)(CH3)(H)2	H(CGaCH)	H(CGaCH)	C(GaCOO)(CH3)(H)2	H(CGaCH)	H(CGaCH)	102.1542	5.163	4	102.1542	26.659	4	106.2570	11.605	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Ga-4:C-4:H-1:H-1:	C-4:	C-4:	C(GaCSS)(CH3)(H)2	H(CGaCH)	H(CGaCH)	C(GaCSS)(CH3)(H)2	H(CGaCH)	H(CGaCH)	107.4747	0.350	3	107.4747	0.122	3	106.2570	11.605	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Ga-4:C-4:H-1:H-1:	C-4:	C-4:	C(GaCl2P)(CCHH)(H)2	H(CGaCH)	H(CGaCH)	C(GaCl2P)(CCHH)(H)2	H(CGaCH)	H(CGaCH)	109.4360	0.000	1	109.4360	0.000	1	106.2570	11.605	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Ga-4:C-4:H-1:H-1:	C-4:	C-4:	C(GaN[6]CC)(CH3)(H)2	H(CGaCH)	H(CGaCH)	C(GaN[6]CC)(CH3)(H)2	H(CGaCH)	H(CGaCH)	107.4170	0.280	2	107.4170	0.078	2	106.2570	11.605	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Ga-4:C-4:H-1:H-1:	C-4:	C-4:	C(GaSnCC)(CH3)(H)2	H(CGaCH)	H(CGaCH)	C(GaSnCC)(CH3)(H)2	H(CGaCH)	H(CGaCH)	107.4650	0.450	3	107.4650	0.202	3	106.2570	11.605	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Ga-4:N-4:H-1:H-1:	C-4:	C-4:	C(GaClCC)(NCCH)(H)2	H(CGaHN)	H(CGaHN)	C(GaClCC)(NCCH)(H)2	H(CGaHN)	H(CGaHN)	107.2420	0.000	1	107.2420	0.000	1	107.2420	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Ga-4:Si-4:H-1:H-1:	C-4:	C-4:	C(GaC3)(SiC3)(H)2	H(CGaSiH)	H(CGaSiH)	C(GaC3)(SiC3)(H)2	H(CGaSiH)	H(CGaSiH)	107.1533	0.220	7	107.1533	0.048	7	107.1184	0.044	9	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Ga-4:Si-4:H-1:H-1:	C-4:	C-4:	C(GaC[5]CC)(SiC3)(H)2	H(CGaSiH)	H(CGaSiH)	C(GaC[5]CC)(SiC3)(H)2	H(CGaSiH)	H(CGaSiH)	106.9965	0.144	2	106.9965	0.021	2	107.1184	0.044	9	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Ga[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(Ga[4]O[4]2C)(CH3)(H)2	H(CGa[4]CH)	H(CGa[4]CH)	C(Ga[4]O[4]2C)(CH3)(H)2	H(CGa[4]CH)	H(CGa[4]CH)	104.2690	2.515	4	104.2690	6.325	4	104.2690	6.325	4	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Ga[4]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(Ga[4]O[4]2C)(SiC3)(H)2	H(CGa[4]SiH)	H(CGa[4]SiH)	C(Ga[4]O[4]2C)(SiC3)(H)2	H(CGa[4]SiH)	H(CGa[4]SiH)	106.6810	0.047	2	106.6810	0.002	2	106.6810	0.002	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Ga[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(Ga[6]C[6,6]N[6,6]C)(CH3)(H)2	H(CGa[6]CH)	H(CGa[6]CH)	C(Ga[6]C[6,6]N[6,6]C)(CH3)(H)2	H(CGa[6]CH)	H(CGa[6]CH)	107.4370	0.341	2	107.4370	0.116	2	107.3337	0.186	8	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Ga[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(Ga[6]N[6]2Bi)(CH3)(H)2	H(CGa[6]CH)	H(CGa[6]CH)	C(Ga[6]N[6]2Bi)(CH3)(H)2	H(CGa[6]CH)	H(CGa[6]CH)	106.8410	0.000	1	106.8410	0.000	1	107.3337	0.186	8	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Ga[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(Ga[6]N[6]2C)(CH3)(H)2	H(CGa[6]CH)	H(CGa[6]CH)	C(Ga[6]N[6]2C)(CH3)(H)2	H(CGa[6]CH)	H(CGa[6]CH)	107.5595	0.603	2	107.5595	0.364	2	107.3337	0.186	8	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Ga[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(Ga[6]N[6]2In)(CH3)(H)2	H(CGa[6]CH)	H(CGa[6]CH)	C(Ga[6]N[6]2In)(CH3)(H)2	H(CGa[6]CH)	H(CGa[6]CH)	107.2787	0.473	3	107.2787	0.224	3	107.3337	0.186	8	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Ga[6]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(Ga[6]N[6]2C)(SiC3)(H)2	H(CGa[6]SiH)	H(CGa[6]SiH)	C(Ga[6]N[6]2C)(SiC3)(H)2	H(CGa[6]SiH)	H(CGa[6]SiH)	107.0974	0.154	5	107.0974	0.024	5	107.0974	0.024	5	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Ge-4:C-4:H-1:H-1:	C-4:	C-4:	C(GeC3)(CH3)(H)2	H(CGeCH)	H(CGeCH)	C(GeC3)(CH3)(H)2	H(CGeCH)	H(CGeCH)	107.4747	0.154	3	107.4747	0.024	3	107.4204	0.097	19	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Ge-4:C-4:H-1:H-1:	C-4:	C-4:	C(GeCCO)(CH3)(H)2	H(CGeCH)	H(CGeCH)	C(GeCCO)(CH3)(H)2	H(CGeCH)	H(CGeCH)	107.7840	0.000	1	107.7840	0.000	1	107.4204	0.097	19	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Ge-4:C-4:H-1:H-1:	C-4:	C-4:	C(GeC[6a]3)(CCHH)(H)2	H(CGeCH)	H(CGeCH)	C(GeC[6a]3)(CCHH)(H)2	H(CGeCH)	H(CGeCH)	107.8170	0.000	1	107.8170	0.000	1	107.4204	0.097	19	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Ge-4:C-4:H-1:H-1:	C-4:	C-4:	C(GeFeCC)(CH3)(H)2	H(CGeCH)	H(CGeCH)	C(GeFeCC)(CH3)(H)2	H(CGeCH)	H(CGeCH)	107.5867	0.171	3	107.5867	0.029	3	107.4204	0.097	19	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Ge-4:C-4:H-1:H-1:	C-4:	C-4:	C(GeGeCC)(CCCH)(H)2	H(CGeCH)	H(CGeCH)	C(GeGeCC)(CCCH)(H)2	H(CGeCH)	H(CGeCH)	107.1373	0.320	6	107.1373	0.103	6	107.4204	0.097	19	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Ge-4:C-4:H-1:H-1:	C-4:	C-4:	C(GeGeCC)(CH3)(H)2	H(CGeCH)	H(CGeCH)	C(GeGeCC)(CH3)(H)2	H(CGeCH)	H(CGeCH)	107.3810	0.284	3	107.3810	0.081	3	107.4204	0.097	19	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Ge-4:C-4:H-1:H-1:	C-4:	C-4:	C(GePtCH)(CCHH)(H)2	H(CGeCH)	H(CGeCH)	C(GePtCH)(CCHH)(H)2	H(CGeCH)	H(CGeCH)	107.6175	0.111	2	107.6175	0.012	2	107.4204	0.097	19	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Ge[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(Ge[5]C[5,5a]2Ge[5])(CH3)(H)2	H(CGe[5]CH)	H(CGe[5]CH)	C(Ge[5]C[5,5a]2Ge[5])(CH3)(H)2	H(CGe[5]CH)	H(CGe[5]CH)	107.6700	0.091	2	107.6700	0.008	2	107.6700	0.008	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	In-4:C-4:H-1:H-1:	C-4:	C-4:	C(InCSS)(CH3)(H)2	H(CInCH)	H(CInCH)	C(InCSS)(CH3)(H)2	H(CInCH)	H(CInCH)	107.7133	0.251	6	107.7133	0.063	6	107.7934	0.069	8	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	In-4:C-4:H-1:H-1:	C-4:	C-4:	C(InGa[6]C[5]C)(CH3)(H)2	H(CInCH)	H(CInCH)	C(InGa[6]C[5]C)(CH3)(H)2	H(CInCH)	H(CInCH)	108.0335	0.111	2	108.0335	0.012	2	107.7934	0.069	8	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	In[4,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(In[4,5]O[4,5]2N[5])(CH3)(H)2	H(CIn[4,5]CH)	H(CIn[4,5]CH)	C(In[4,5]O[4,5]2N[5])(CH3)(H)2	H(CIn[4,5]CH)	H(CIn[4,5]CH)	107.4950	0.577	2	107.4950	0.333	2	107.4950	0.333	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	In[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(In[4]As[4]2C)(CH3)(H)2	H(CIn[4]CH)	H(CIn[4]CH)	C(In[4]As[4]2C)(CH3)(H)2	H(CIn[4]CH)	H(CIn[4]CH)	107.4890	0.163	2	107.4890	0.026	2	107.4890	0.026	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	In[4]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(In[4]O[4]2C)(SiC3)(H)2	H(CIn[4]SiH)	H(CIn[4]SiH)	C(In[4]O[4]2C)(SiC3)(H)2	H(CIn[4]SiH)	H(CIn[4]SiH)	109.6493	0.271	3	109.6493	0.073	3	109.6493	0.073	3	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	In[5,5]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(In[5,5]N[5,5]N[5]2)(SiC3)(H)2	H(CIn[5,5]SiH)	H(CIn[5,5]SiH)	C(In[5,5]N[5,5]N[5]2)(SiC3)(H)2	H(CIn[5,5]SiH)	H(CIn[5,5]SiH)	109.4970	0.000	1	109.4970	0.000	1	109.4970	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	In[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(In[6]N[6]2Bi)(CH3)(H)2	H(CIn[6]CH)	H(CIn[6]CH)	C(In[6]N[6]2Bi)(CH3)(H)2	H(CIn[6]CH)	H(CIn[6]CH)	107.2990	0.000	1	107.2990	0.000	1	107.1920	0.023	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	In[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(In[6]N[6]O[6]C)(CCCH)(H)2	H(CIn[6]CH)	H(CIn[6]CH)	C(In[6]N[6]O[6]C)(CCCH)(H)2	H(CIn[6]CH)	H(CIn[6]CH)	107.0850	0.000	1	107.0850	0.000	1	107.1920	0.023	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	In[6]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(In[6]N[6]O[6]C)(SiC3)(H)2	H(CIn[6]SiH)	H(CIn[6]SiH)	C(In[6]N[6]O[6]C)(SiC3)(H)2	H(CIn[6]SiH)	H(CIn[6]SiH)	107.1870	0.479	8	107.1870	0.230	8	107.1666	0.205	9	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	In[6]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(In[6]N[6]O[6]O)(SiC3)(H)2	H(CIn[6]SiH)	H(CIn[6]SiH)	C(In[6]N[6]O[6]O)(SiC3)(H)2	H(CIn[6]SiH)	H(CIn[6]SiH)	107.0030	0.000	1	107.0030	0.000	1	107.1666	0.205	9	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NAgCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NAgCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.7245	0.125	61	107.7245	0.016	61	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NAgCC)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NAgCC)(CHHS)(H)2	H(CCHN)	H(CCHN)	107.6020	0.266	5	107.6020	0.071	5	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NAgCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NAgCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.8360	0.000	1	107.8360	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NAgHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NAgHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.2970	0.000	1	107.2970	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NAl2C)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NAl2C)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.9237	0.075	3	107.9237	0.006	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NAl2C)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NAl2C)(CH3)(H)2	H(CCHN)	H(CCHN)	107.7320	0.308	2	107.7320	0.095	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NAl2C)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NAl2C)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.3420	0.102	2	108.3420	0.010	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NAlCC)(CCCO)(H)2	H(CCHN)	H(CCHN)	C(NAlCC)(CCCO)(H)2	H(CCHN)	H(CCHN)	107.9395	0.157	11	107.9395	0.025	11	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NAlCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NAlCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.5200	0.143	3	107.5200	0.020	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NAlCC)(CCHO)(H)2	H(CCHN)	H(CCHN)	C(NAlCC)(CCHO)(H)2	H(CCHN)	H(CCHN)	108.5623	0.725	3	108.5623	0.525	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NAlCC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NAlCC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.6140	0.186	6	107.6140	0.035	6	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NAlCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NAlCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0459	0.636	78	108.0459	0.404	78	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NAlCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NAlCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	108.2487	0.326	14	108.2487	0.107	14	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NAlCH)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NAlCH)(CC3)(H)2	H(CCHN)	H(CCHN)	107.6880	0.000	1	107.6880	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NAlCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NAlCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.9100	0.000	1	107.9100	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NAlCH)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NAlCH)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.8930	0.000	1	107.8930	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NAlMgC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NAlMgC)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.7156	0.157	8	107.7156	0.024	8	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NAlSiC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NAlSiC)(CHHN)(H)2	H(CCHN)	H(CCHN)	109.0675	0.317	2	109.0675	0.101	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NAlSiC)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NAlSiC)(CHHP)(H)2	H(CCHN)	H(CCHN)	107.8580	0.000	1	107.8580	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NBCC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NBCC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.4689	0.156	16	107.4689	0.024	16	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NBHH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NBHH)(CH3)(H)2	H(CCHN)	H(CCHN)	107.5970	0.000	1	107.5970	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NB[3,3,5,3x6]CH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NB[3,3,5,3x6]CH)(CH3)(H)2	H(CCHN)	H(CCHN)	107.6545	0.032	2	107.6545	0.001	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NB[3,3,6,6]CH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NB[3,3,6,6]CH)(CH3)(H)2	H(CCHN)	H(CCHN)	107.6565	0.134	2	107.6565	0.018	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NB[5a]CC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NB[5a]CC)(CH3)(H)2	H(CCHN)	H(CCHN)	108.2240	1.407	9	108.2240	1.980	9	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NB[5x3,5x5,20x6]CC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NB[5x3,5x5,20x6]CC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.3405	0.094	2	107.3405	0.009	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NBaCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NBaCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	108.0911	1.048	15	108.0911	1.098	15	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NBeCC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NBeCC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.4601	1.197	8	107.4601	1.434	8	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NBeHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NBeHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	109.2930	2.301	10	109.2930	5.294	10	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCCD)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NCCD)(CH3)(H)2	H(CCHN)	H(CCHN)	107.6515	0.135	2	107.6515	0.018	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCCH)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NCCH)(CC3)(H)2	H(CCHN)	H(CCHN)	107.6340	0.093	2	107.6340	0.009	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCCH)(CF3)(H)2	H(CCHN)	H(CCHN)	C(NCCH)(CF3)(H)2	H(CCHN)	H(CCHN)	107.6710	0.000	1	107.6710	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCCH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NCCH)(CH3)(H)2	H(CCHN)	H(CCHN)	107.7755	0.976	844	107.7755	0.954	844	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCCN)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NCCN)(CH3)(H)2	H(CCHN)	H(CCHN)	109.4150	0.000	1	109.4150	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCCO)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NCCO)(CH3)(H)2	H(CCHN)	H(CCHN)	108.3863	1.600	3	108.3863	2.560	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCHH)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NCHH)(CC3)(H)2	H(CCHN)	H(CCHN)	107.9608	0.880	4	107.9608	0.774	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCHH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NCHH)(CH3)(H)2	H(CCHN)	H(CCHN)	108.1882	0.855	162	108.1882	0.731	162	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCHO)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NCHO)(CH3)(H)2	H(CCHN)	H(CCHN)	107.8218	0.129	4	107.8218	0.017	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCOV)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NCOV)(CH3)(H)2	H(CCHN)	H(CCHN)	107.7093	0.171	6	107.7093	0.029	6	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[3x6]CoH)(CC[5a]CC)(H)2	H(CCHN)	H(CCHN)	C(NC[3x6]CoH)(CC[5a]CC)(H)2	H(CCHN)	H(CCHN)	106.9830	0.000	1	106.9830	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[4]CC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[4]CC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.4582	0.100	6	107.4582	0.010	6	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]CC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[5]CC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.4227	0.140	4	107.4227	0.020	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[5]HH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[5]HH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.3370	0.000	1	108.3370	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6,6]ZnH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6,6]ZnH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.8160	0.000	1	107.8160	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]CC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6]CC)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.6600	0.000	1	107.6600	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]CC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[6]CC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.4156	0.080	5	107.4156	0.006	5	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]CH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6]CH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.6330	0.000	1	107.6330	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]CH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[6]CH)(CH3)(H)2	H(CCHN)	H(CCHN)	108.0135	0.100	2	108.0135	0.010	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]CV)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NC[6]CV)(CHHS)(H)2	H(CCHN)	H(CCHN)	110.5865	0.327	2	110.5865	0.107	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]CoH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6]CoH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.4220	0.000	1	107.4220	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]CuC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6]CuC)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.5400	0.000	1	107.5400	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]CuC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[6]CuC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.7190	0.144	4	107.7190	0.021	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]CuC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6]CuC)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.1487	0.134	3	108.1487	0.018	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]CuH)(CCCS)(H)2	H(CCHN)	H(CCHN)	C(NC[6]CuH)(CCCS)(H)2	H(CCHN)	H(CCHN)	113.1380	0.000	1	113.1380	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]CuH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6]CuH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.9680	0.000	1	107.9680	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]CuH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[6]CuH)(CH3)(H)2	H(CCHN)	H(CCHN)	108.5763	3.256	3	108.5763	10.603	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]CuH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6]CuH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.3365	0.004	2	108.3365	0.000	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]HH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6]HH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.9853	0.198	15	107.9853	0.039	15	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]HH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[6]HH)(CH3)(H)2	H(CCHN)	H(CCHN)	107.9760	0.000	1	107.9760	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]HH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6]HH)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.4070	0.000	1	107.4070	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]HH)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NC[6]HH)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.9090	0.000	1	107.9090	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]HgC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6]HgC)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.4460	0.172	3	107.4460	0.029	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]Li2)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NC[6]Li2)(CC3)(H)2	H(CCHN)	H(CCHN)	107.4140	0.000	1	107.4140	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]LiC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[6]LiC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.7670	0.070	8	107.7670	0.005	8	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]MnH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6]MnH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.2573	0.076	3	108.2573	0.006	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]NiH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6]NiH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.8447	0.036	3	107.8447	0.001	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]NiH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6]NiH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0185	0.074	2	108.0185	0.006	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]PtH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6]PtH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.7515	0.077	2	107.7515	0.006	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]PtH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6]PtH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.3320	0.000	1	108.3320	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]RuC)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NC[6]RuC)(CHHS)(H)2	H(CCHN)	H(CCHN)	107.5800	0.000	1	107.5800	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]RuH)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NC[6]RuH)(CHHP)(H)2	H(CCHN)	H(CCHN)	108.0510	0.000	1	108.0510	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]ZnC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6]ZnC)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.8945	0.453	4	107.8945	0.205	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]ZnC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[6]ZnC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.7763	0.063	4	107.7763	0.004	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6]ZnH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[6]ZnH)(CH3)(H)2	H(CCHN)	H(CCHN)	107.8680	0.000	1	107.8680	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Al2)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Al2)(CC3)(H)2	H(CCHN)	H(CCHN)	106.9700	0.000	1	106.9700	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Al2)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Al2)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.3320	0.093	3	108.3320	0.009	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]AlC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]AlC)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.2230	0.000	1	108.2230	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]AlH)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]AlH)(CC3)(H)2	H(CCHN)	H(CCHN)	107.3883	0.191	3	107.3883	0.036	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]AlH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]AlH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.5292	0.097	4	108.5292	0.010	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]CC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]CC)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.5690	0.000	1	107.5690	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]CH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]CH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.2375	0.029	2	107.2375	0.001	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]CH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]CH)(CH3)(H)2	H(CCHN)	H(CCHN)	108.4563	2.204	23	108.4563	4.858	23	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]CdH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]CdH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0478	0.116	4	108.0478	0.014	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Co2)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Co2)(CC3)(H)2	H(CCHN)	H(CCHN)	107.5845	0.234	6	107.5845	0.055	6	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]CoH)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]CoH)(CHHP)(H)2	H(CCHN)	H(CCHN)	108.2140	0.031	3	108.2140	0.001	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]CrH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]CrH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.5040	0.079	2	108.5040	0.006	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]CuC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]CuC)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.6840	0.000	2	107.6840	0.000	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]CuC)(CC[6]HH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]CuC)(CC[6]HH)(H)2	H(CCHN)	H(CCHN)	107.7230	0.305	2	107.7230	0.093	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]CuC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]CuC)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.7597	0.169	6	107.7597	0.029	6	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]CuC)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]CuC)(CHHS)(H)2	H(CCHN)	H(CCHN)	108.0070	0.000	1	108.0070	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Fe2)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Fe2)(CC3)(H)2	H(CCHN)	H(CCHN)	107.3688	0.115	32	107.3688	0.013	32	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]FeB)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]FeB)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.1520	0.131	4	108.1520	0.017	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]FeC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]FeC)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.6312	0.106	4	107.6312	0.011	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]FeC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]FeC)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.2017	0.061	3	108.2017	0.004	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]FeH)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]FeH)(CHHS)(H)2	H(CCHN)	H(CCHN)	115.8840	5.798	2	115.8840	33.620	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]HH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]HH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.9780	0.037	2	107.9780	0.001	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]HH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]HH)(CH3)(H)2	H(CCHN)	H(CCHN)	107.8295	0.248	2	107.8295	0.062	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]HH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]HH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.3114	0.666	5	108.3114	0.444	5	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]HgC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]HgC)(CCHH)(H)2	H(CCHN)	H(CCHN)	105.9010	4.279	2	105.9010	18.313	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Li2)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Li2)(CH3)(H)2	H(CCHN)	H(CCHN)	107.6270	0.000	1	107.6270	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Mn2)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Mn2)(CC3)(H)2	H(CCHN)	H(CCHN)	107.2583	0.134	11	107.2583	0.018	11	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]MnC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]MnC)(CCHH)(H)2	H(CCHN)	H(CCHN)	110.3875	0.325	2	110.3875	0.105	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]MnC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]MnC)(CHHN)(H)2	H(CCHN)	H(CCHN)	109.1615	1.464	4	109.1615	2.144	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]MnH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]MnH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.2665	0.032	2	108.2665	0.001	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]MoC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]MoC)(CHHN)(H)2	H(CCHN)	H(CCHN)	109.4990	0.021	2	109.4990	0.000	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]NiC)(CC[6]HH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]NiC)(CC[6]HH)(H)2	H(CCHN)	H(CCHN)	107.7200	0.041	2	107.7200	0.002	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]NiC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]NiC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.8955	0.026	2	107.8955	0.001	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]NiC)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]NiC)(CHHP)(H)2	H(CCHN)	H(CCHN)	108.1945	0.057	2	108.1945	0.003	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]NiC)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]NiC)(CHHS)(H)2	H(CCHN)	H(CCHN)	107.6270	1.119	2	107.6270	1.251	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]NiH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]NiH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.3970	0.081	3	108.3970	0.007	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Pb2)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Pb2)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0710	0.000	1	108.0710	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]PdC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]PdC)(CH3)(H)2	H(CCHN)	H(CCHN)	109.1740	3.763	2	109.1740	14.162	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]PdC)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]PdC)(CHHP)(H)2	H(CCHN)	H(CCHN)	108.1745	0.080	2	108.1745	0.006	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]RuH)(CN[5]HH)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]RuH)(CN[5]HH)(H)2	H(CCHN)	H(CCHN)	107.6770	0.000	1	107.6770	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Sn2)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]Sn2)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0250	0.000	1	108.0250	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]TiH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]TiH)(CH3)(H)2	H(CCHN)	H(CCHN)	109.3610	0.000	1	109.3610	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]ZnH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NC[6a]ZnH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.4175	0.124	6	108.4175	0.015	6	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCaCC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NCaCC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.6450	0.000	1	107.6450	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCaCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NCaCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.2092	1.061	10	107.2092	1.125	10	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCaCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NCaCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	100.7013	5.397	14	100.7013	29.128	14	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCdCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NCdCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.4450	0.158	6	107.4450	0.025	6	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCdCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NCdCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0795	2.005	44	108.0795	4.019	44	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCdCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NCdCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.7970	0.187	3	107.7970	0.035	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCdCH)(CCCN)(H)2	H(CCHN)	H(CCHN)	C(NCdCH)(CCCN)(H)2	H(CCHN)	H(CCHN)	107.7390	0.083	2	107.7390	0.007	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCdCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NCdCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.6280	0.068	3	107.6280	0.005	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCdCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NCdCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0264	0.148	11	108.0264	0.022	11	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCdHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NCdHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.8455	0.012	2	107.8455	0.000	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCdHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NCdHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0088	0.149	17	108.0088	0.022	17	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCo2C)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NCo2C)(CHHP)(H)2	H(CCHN)	H(CCHN)	107.9560	0.330	4	107.9560	0.109	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCo2H)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NCo2H)(CC3)(H)2	H(CCHN)	H(CCHN)	107.3130	0.000	1	107.3130	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoCC)(CCCN)(H)2	H(CCHN)	H(CCHN)	C(NCoCC)(CCCN)(H)2	H(CCHN)	H(CCHN)	107.6790	0.245	3	107.6790	0.060	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoCC)(CCCO)(H)2	H(CCHN)	H(CCHN)	C(NCoCC)(CCCO)(H)2	H(CCHN)	H(CCHN)	107.1515	0.229	4	107.1515	0.053	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoCC)(CCCS)(H)2	H(CCHN)	H(CCHN)	C(NCoCC)(CCCS)(H)2	H(CCHN)	H(CCHN)	107.4590	0.059	2	107.4590	0.004	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NCoCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.3367	1.690	64	107.3367	2.855	64	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoCC)(CCHO)(H)2	H(CCHN)	H(CCHN)	C(NCoCC)(CCHO)(H)2	H(CCHN)	H(CCHN)	107.9815	0.417	4	107.9815	0.174	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoCC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NCoCC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.4429	0.163	13	107.4429	0.026	13	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NCoCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.1270	0.882	447	108.1270	0.779	447	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NCoCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	108.0007	0.381	36	108.0007	0.145	36	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoCC)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NCoCC)(CHHS)(H)2	H(CCHN)	H(CCHN)	107.7962	0.137	11	107.7962	0.019	11	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoCH)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NCoCH)(CC3)(H)2	H(CCHN)	H(CCHN)	108.2252	0.904	13	108.2252	0.817	13	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoCH)(CCCH)(H)2	H(CCHN)	H(CCHN)	C(NCoCH)(CCCH)(H)2	H(CCHN)	H(CCHN)	107.5870	0.000	1	107.5870	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoCH)(CCCN)(H)2	H(CCHN)	H(CCHN)	C(NCoCH)(CCCN)(H)2	H(CCHN)	H(CCHN)	109.2401	3.496	39	109.2401	12.221	39	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoCH)(CCCO)(H)2	H(CCHN)	H(CCHN)	C(NCoCH)(CCCO)(H)2	H(CCHN)	H(CCHN)	107.7330	0.021	2	107.7330	0.000	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NCoCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	108.0194	0.899	104	108.0194	0.808	104	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoCH)(CCHO)(H)2	H(CCHN)	H(CCHN)	C(NCoCH)(CCHO)(H)2	H(CCHN)	H(CCHN)	108.0547	0.427	14	108.0547	0.183	14	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoCH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NCoCH)(CH3)(H)2	H(CCHN)	H(CCHN)	107.7720	0.000	1	107.7720	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NCoCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.5720	1.065	406	108.5720	1.134	406	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoCH)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NCoCH)(CHHO)(H)2	H(CCHN)	H(CCHN)	108.0300	0.351	10	108.0300	0.123	10	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoCH)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NCoCH)(CHHP)(H)2	H(CCHN)	H(CCHN)	108.1489	0.159	22	108.1489	0.025	22	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoCH)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NCoCH)(CHHS)(H)2	H(CCHN)	H(CCHN)	108.4440	0.769	7	108.4440	0.592	7	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoCH)(CHOO)(H)2	H(CCHN)	H(CCHN)	C(NCoCH)(CHOO)(H)2	H(CCHN)	H(CCHN)	111.9070	0.000	1	111.9070	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoHH)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NCoHH)(CC3)(H)2	H(CCHN)	H(CCHN)	107.7077	0.134	21	107.7077	0.018	21	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NCoHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	108.0603	0.551	51	108.0603	0.304	51	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoHH)(CCHN)(H)2	H(CCHN)	H(CCHN)	C(NCoHH)(CCHN)(H)2	H(CCHN)	H(CCHN)	108.1013	0.197	3	108.1013	0.039	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoHH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NCoHH)(CH3)(H)2	H(CCHN)	H(CCHN)	107.8900	0.000	1	107.8900	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NCoHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.5726	1.271	574	108.5726	1.616	574	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoHH)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NCoHH)(CHHO)(H)2	H(CCHN)	H(CCHN)	108.2530	0.000	1	108.2530	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoHH)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NCoHH)(CHHS)(H)2	H(CCHN)	H(CCHN)	110.1625	1.508	4	110.1625	2.274	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoHH)(CHNO)(H)2	H(CCHN)	H(CCHN)	C(NCoHH)(CHNO)(H)2	H(CCHN)	H(CCHN)	108.3890	0.000	1	108.3890	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoHH)(CHOO)(H)2	H(CCHN)	H(CCHN)	C(NCoHH)(CHOO)(H)2	H(CCHN)	H(CCHN)	112.4910	0.000	1	112.4910	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoSiC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NCoSiC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.7055	0.134	2	107.7055	0.018	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCoSiC)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NCoSiC)(CHHP)(H)2	H(CCHN)	H(CCHN)	107.6941	0.170	9	107.6941	0.029	9	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCr2C)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NCr2C)(CHHS)(H)2	H(CCHN)	H(CCHN)	107.6340	0.245	2	107.6340	0.060	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCrCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NCrCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	108.0228	1.241	20	108.0228	1.540	20	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCrCC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NCrCC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.3740	0.106	3	107.3740	0.011	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCrCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NCrCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.8758	0.805	74	107.8758	0.648	74	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCrCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NCrCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	108.1854	0.059	11	108.1854	0.004	11	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCrCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NCrCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.8573	0.103	34	107.8573	0.011	34	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCrCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NCrCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.3373	0.095	63	108.3373	0.009	63	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCrCH)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NCrCH)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.8362	0.337	10	107.8362	0.113	10	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCrCH)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NCrCH)(CHHP)(H)2	H(CCHN)	H(CCHN)	108.0858	0.008	6	108.0858	0.000	6	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCrCH)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NCrCH)(CHHS)(H)2	H(CCHN)	H(CCHN)	108.3620	0.000	1	108.3620	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCrCO)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NCrCO)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.3800	0.035	2	107.3800	0.001	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCrHH)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NCrHH)(CC3)(H)2	H(CCHN)	H(CCHN)	107.6605	0.006	2	107.6605	0.000	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCrHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NCrHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	108.1999	1.148	11	108.1999	1.318	11	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCrHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NCrHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.3852	0.120	25	108.3852	0.014	25	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCrSiC)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NCrSiC)(CHHP)(H)2	H(CCHN)	H(CCHN)	107.5106	0.128	11	107.5106	0.016	11	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuCC)(CCCS)(H)2	H(CCHN)	H(CCHN)	C(NCuCC)(CCCS)(H)2	H(CCHN)	H(CCHN)	106.3760	0.572	5	106.3760	0.327	5	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NCuCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.8359	1.149	151	107.8359	1.319	151	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuCC)(CCHN)(H)2	H(CCHN)	H(CCHN)	C(NCuCC)(CCHN)(H)2	H(CCHN)	H(CCHN)	108.2240	0.000	1	108.2240	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuCC)(CCHO)(H)2	H(CCHN)	H(CCHN)	C(NCuCC)(CCHO)(H)2	H(CCHN)	H(CCHN)	107.1820	0.049	2	107.1820	0.002	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuCC)(CCHS)(H)2	H(CCHN)	H(CCHN)	C(NCuCC)(CCHS)(H)2	H(CCHN)	H(CCHN)	107.7365	0.176	2	107.7365	0.031	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuCC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NCuCC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.7290	0.643	30	107.7290	0.414	30	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NCuCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.1429	0.979	459	108.1429	0.959	459	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NCuCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.8170	0.521	13	107.8170	0.272	13	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuCC)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NCuCC)(CHHS)(H)2	H(CCHN)	H(CCHN)	108.0756	0.857	17	108.0756	0.735	17	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuCH)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NCuCH)(CC3)(H)2	H(CCHN)	H(CCHN)	107.3800	0.000	1	107.3800	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuCH)(CCCH)(H)2	H(CCHN)	H(CCHN)	C(NCuCH)(CCCH)(H)2	H(CCHN)	H(CCHN)	108.0864	1.023	5	108.0864	1.047	5	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuCH)(CCCN)(H)2	H(CCHN)	H(CCHN)	C(NCuCH)(CCCN)(H)2	H(CCHN)	H(CCHN)	109.1403	2.729	3	109.1403	7.450	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuCH)(CCCO)(H)2	H(CCHN)	H(CCHN)	C(NCuCH)(CCCO)(H)2	H(CCHN)	H(CCHN)	108.2310	0.023	3	108.2310	0.001	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NCuCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	108.0202	1.395	90	108.0202	1.945	90	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuCH)(CCHN)(H)2	H(CCHN)	H(CCHN)	C(NCuCH)(CCHN)(H)2	H(CCHN)	H(CCHN)	108.1880	0.000	1	108.1880	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuCH)(CCHO)(H)2	H(CCHN)	H(CCHN)	C(NCuCH)(CCHO)(H)2	H(CCHN)	H(CCHN)	107.8042	0.221	5	107.8042	0.049	5	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuCH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NCuCH)(CH3)(H)2	H(CCHN)	H(CCHN)	107.7272	0.274	4	107.7272	0.075	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NCuCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.3994	1.519	293	108.3994	2.306	293	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuCH)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NCuCH)(CHHO)(H)2	H(CCHN)	H(CCHN)	108.0161	0.192	8	108.0161	0.037	8	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuCH)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NCuCH)(CHHP)(H)2	H(CCHN)	H(CCHN)	108.0263	0.156	3	108.0263	0.024	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuCH)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NCuCH)(CHHS)(H)2	H(CCHN)	H(CCHN)	108.0143	0.399	6	108.0143	0.159	6	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NCuHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.9224	1.079	35	107.9224	1.164	35	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuHH)(CCHN)(H)2	H(CCHN)	H(CCHN)	C(NCuHH)(CCHN)(H)2	H(CCHN)	H(CCHN)	108.2348	0.374	11	108.2348	0.140	11	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuHH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NCuHH)(CH3)(H)2	H(CCHN)	H(CCHN)	110.0450	0.000	1	110.0450	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NCuHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.4698	0.678	70	108.4698	0.459	70	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuHH)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NCuHH)(CHHS)(H)2	H(CCHN)	H(CCHN)	110.2270	0.000	1	110.2270	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuLiC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NCuLiC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.9200	0.000	1	107.9200	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NCuLiC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NCuLiC)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0540	0.118	3	108.0540	0.014	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NEuCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NEuCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.7394	0.074	5	107.7394	0.005	5	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NEuCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NEuCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.3480	0.000	1	107.3480	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NEuCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NEuCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0451	0.382	9	108.0451	0.146	9	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NEuHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NEuHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0796	0.191	7	108.0796	0.037	7	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NFeBC)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NFeBC)(CHHP)(H)2	H(CCHN)	H(CCHN)	107.7577	0.096	3	107.7577	0.009	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NFeCC)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NFeCC)(CC3)(H)2	H(CCHN)	H(CCHN)	106.3972	0.088	5	106.3972	0.008	5	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NFeCC)(CCCH)(H)2	H(CCHN)	H(CCHN)	C(NFeCC)(CCCH)(H)2	H(CCHN)	H(CCHN)	107.1450	0.025	2	107.1450	0.001	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NFeCC)(CCCS)(H)2	H(CCHN)	H(CCHN)	C(NFeCC)(CCCS)(H)2	H(CCHN)	H(CCHN)	107.2802	0.089	4	107.2802	0.008	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NFeCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NFeCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.5925	0.419	92	107.5925	0.176	92	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NFeCC)(CCHO)(H)2	H(CCHN)	H(CCHN)	C(NFeCC)(CCHO)(H)2	H(CCHN)	H(CCHN)	108.2851	0.471	24	108.2851	0.222	24	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NFeCC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NFeCC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.4945	0.164	4	107.4945	0.027	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NFeCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NFeCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0140	0.720	561	108.0140	0.519	561	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NFeCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NFeCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	108.4288	1.296	116	108.4288	1.679	116	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NFeCC)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NFeCC)(CHHP)(H)2	H(CCHN)	H(CCHN)	107.9419	0.157	10	107.9419	0.025	10	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NFeCC)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NFeCC)(CHHS)(H)2	H(CCHN)	H(CCHN)	108.0196	0.754	14	108.0196	0.569	14	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NFeCH)(CCCN)(H)2	H(CCHN)	H(CCHN)	C(NFeCH)(CCCN)(H)2	H(CCHN)	H(CCHN)	105.3282	1.829	4	105.3282	3.347	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NFeCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NFeCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.7950	0.915	84	107.7950	0.838	84	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NFeCH)(CCHO)(H)2	H(CCHN)	H(CCHN)	C(NFeCH)(CCHO)(H)2	H(CCHN)	H(CCHN)	108.3390	0.000	1	108.3390	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NFeCH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NFeCH)(CH3)(H)2	H(CCHN)	H(CCHN)	107.5883	0.082	10	107.5883	0.007	10	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NFeCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NFeCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.1966	0.689	242	108.1966	0.475	242	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NFeCH)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NFeCH)(CHHP)(H)2	H(CCHN)	H(CCHN)	108.2571	0.159	17	108.2571	0.025	17	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NFeCH)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NFeCH)(CHHS)(H)2	H(CCHN)	H(CCHN)	108.0710	0.149	3	108.0710	0.022	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NFeHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NFeHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.7265	0.297	6	107.7265	0.088	6	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NFeHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NFeHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.3435	0.547	57	108.3435	0.299	57	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NFeHH)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NFeHH)(CHHO)(H)2	H(CCHN)	H(CCHN)	108.4360	0.000	1	108.4360	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NFeHH)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NFeHH)(CHHP)(H)2	H(CCHN)	H(CCHN)	108.4225	0.211	2	108.4225	0.045	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NFeHH)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NFeHH)(CHHS)(H)2	H(CCHN)	H(CCHN)	108.2670	0.000	1	108.2670	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NFeSiC)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NFeSiC)(CHHP)(H)2	H(CCHN)	H(CCHN)	107.6125	0.086	2	107.6125	0.007	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NGaCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NGaCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.2390	0.091	4	108.2390	0.008	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NGeCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NGeCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0727	0.128	4	108.0727	0.016	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NHf2N)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NHf2N)(CH3)(H)2	H(CCHN)	H(CCHN)	107.9770	0.000	1	107.9770	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NHgCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NHgCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.6066	0.247	12	107.6066	0.061	12	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NHgCC)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NHgCC)(CHHS)(H)2	H(CCHN)	H(CCHN)	107.3923	0.151	3	107.3923	0.023	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NHgCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NHgCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.8914	0.157	9	107.8914	0.025	9	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NHgCH)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NHgCH)(CHHS)(H)2	H(CCHN)	H(CCHN)	107.5925	0.344	2	107.5925	0.119	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NHgHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NHgHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.7600	0.163	2	107.7600	0.026	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NHgHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NHgHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0905	0.016	2	108.0905	0.000	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NInCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NInCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.6160	0.266	2	107.6160	0.071	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NInCH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NInCH)(CH3)(H)2	H(CCHN)	H(CCHN)	107.7390	0.093	3	107.7390	0.009	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NInHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NInHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.6060	0.752	3	107.6060	0.566	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NIn[4]CH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NIn[4]CH)(CH3)(H)2	H(CCHN)	H(CCHN)	107.7840	0.028	2	107.7840	0.001	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NIn[5]CC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NIn[5]CC)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0165	0.067	2	108.0165	0.005	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NIrCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NIrCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.2922	0.116	4	107.2922	0.013	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NIrCC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NIrCC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.5081	0.166	18	107.5081	0.027	18	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NIrCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NIrCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.9272	0.131	9	107.9272	0.017	9	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NIrCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NIrCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.6647	0.688	18	107.6647	0.473	18	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NIrCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NIrCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.6672	0.088	4	107.6672	0.008	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NIrCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NIrCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0365	0.176	10	108.0365	0.031	10	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NIrCH)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NIrCH)(CHHP)(H)2	H(CCHN)	H(CCHN)	108.1889	0.153	21	108.1889	0.023	21	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NIrCH)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NIrCH)(CHHS)(H)2	H(CCHN)	H(CCHN)	108.3070	0.000	1	108.3070	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NIrHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NIrHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.4931	0.512	11	108.4931	0.263	11	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NIrHH)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NIrHH)(CHHS)(H)2	H(CCHN)	H(CCHN)	109.8161	0.505	7	109.8161	0.255	7	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NLi2C)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NLi2C)(CCHH)(H)2	H(CCHN)	H(CCHN)	108.1066	0.771	5	108.1066	0.594	5	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NLi2C)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NLi2C)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.7400	0.814	4	108.7400	0.663	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NLi2C)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NLi2C)(CHHP)(H)2	H(CCHN)	H(CCHN)	107.7590	0.378	2	107.7590	0.143	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NLiCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NLiCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.7880	0.000	1	107.7880	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NLiCC)(CCHN)(H)2	H(CCHN)	H(CCHN)	C(NLiCC)(CCHN)(H)2	H(CCHN)	H(CCHN)	107.7090	0.000	1	107.7090	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NLiCC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NLiCC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.5138	0.154	6	107.5138	0.024	6	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NLiCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NLiCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.8322	0.766	274	107.8322	0.587	274	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NLiCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NLiCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.8965	0.603	36	107.8965	0.363	36	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NLiCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NLiCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	108.0110	0.000	1	108.0110	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NLiCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NLiCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0337	0.414	31	108.0337	0.171	31	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NLiHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NLiHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.7660	0.000	1	107.7660	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NLiHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NLiHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.1910	0.000	1	108.1910	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMg2C)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NMg2C)(CHHN)(H)2	H(CCHN)	H(CCHN)	106.2272	1.866	4	106.2272	3.482	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMg2H)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NMg2H)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0720	0.000	1	108.0720	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMgCC)(CCCO)(H)2	H(CCHN)	H(CCHN)	C(NMgCC)(CCCO)(H)2	H(CCHN)	H(CCHN)	107.7267	0.121	3	107.7267	0.015	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMgCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NMgCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.4892	0.127	4	107.4892	0.016	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMgCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NMgCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.8763	0.611	104	107.8763	0.373	104	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMgCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NMgCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	108.0116	1.016	5	108.0116	1.033	5	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMgCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NMgCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.8863	0.062	3	107.8863	0.004	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMgCH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NMgCH)(CH3)(H)2	H(CCHN)	H(CCHN)	107.7395	0.209	2	107.7395	0.044	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMgCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NMgCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.2610	0.088	4	108.2610	0.008	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMgCP)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NMgCP)(CH3)(H)2	H(CCHN)	H(CCHN)	107.5503	0.163	8	107.5503	0.027	8	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMgHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NMgHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0900	0.000	1	108.0900	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMgHH)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NMgHH)(CHHO)(H)2	H(CCHN)	H(CCHN)	108.3150	0.053	3	108.3150	0.003	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMn2C)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NMn2C)(CH3)(H)2	H(CCHN)	H(CCHN)	107.5403	0.008	3	107.5403	0.000	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMnCC)(CCCN)(H)2	H(CCHN)	H(CCHN)	C(NMnCC)(CCCN)(H)2	H(CCHN)	H(CCHN)	107.3350	0.066	2	107.3350	0.004	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMnCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NMnCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.4159	0.843	34	107.4159	0.710	34	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMnCC)(CCHN)(H)2	H(CCHN)	H(CCHN)	C(NMnCC)(CCHN)(H)2	H(CCHN)	H(CCHN)	108.1580	0.000	1	108.1580	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMnCC)(CCHO)(H)2	H(CCHN)	H(CCHN)	C(NMnCC)(CCHO)(H)2	H(CCHN)	H(CCHN)	109.1620	0.275	3	109.1620	0.076	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMnCC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NMnCC)(CH3)(H)2	H(CCHN)	H(CCHN)	106.4525	2.495	12	106.4525	6.226	12	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMnCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NMnCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.1008	0.752	147	108.1008	0.565	147	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMnCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NMnCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	108.3382	0.609	33	108.3382	0.371	33	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMnCC)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NMnCC)(CHHS)(H)2	H(CCHN)	H(CCHN)	107.7980	0.000	1	107.7980	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMnCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NMnCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	108.2613	1.603	106	108.2613	2.569	106	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMnCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NMnCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.3586	1.366	205	108.3586	1.866	205	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMnCH)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NMnCH)(CHHO)(H)2	H(CCHN)	H(CCHN)	108.1805	0.315	12	108.1805	0.099	12	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMnCH)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NMnCH)(CHHP)(H)2	H(CCHN)	H(CCHN)	108.3635	0.094	12	108.3635	0.009	12	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMnCH)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NMnCH)(CHHS)(H)2	H(CCHN)	H(CCHN)	107.7645	0.352	4	107.7645	0.124	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMnHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NMnHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	113.1813	8.514	6	113.1813	72.481	6	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMnHH)(CCHN)(H)2	H(CCHN)	H(CCHN)	C(NMnHH)(CCHN)(H)2	H(CCHN)	H(CCHN)	108.1227	0.138	3	108.1227	0.019	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMnHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NMnHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.1477	0.278	121	108.1477	0.077	121	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMoCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NMoCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.4040	0.000	1	107.4040	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMoCC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NMoCC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.5205	0.135	2	107.5205	0.018	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMoCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NMoCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0622	0.258	30	108.0622	0.067	30	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMoCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NMoCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.3870	0.000	1	107.3870	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMoCC)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NMoCC)(CHHS)(H)2	H(CCHN)	H(CCHN)	107.1131	2.062	8	107.1131	4.252	8	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMoCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NMoCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.6960	0.045	2	107.6960	0.002	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMoCH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NMoCH)(CH3)(H)2	H(CCHN)	H(CCHN)	107.4795	8.674	4	107.4795	75.244	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMoCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NMoCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0102	1.232	20	108.0102	1.518	20	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMoCH)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NMoCH)(CHHO)(H)2	H(CCHN)	H(CCHN)	108.6250	0.000	1	108.6250	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMoCH)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NMoCH)(CHHP)(H)2	H(CCHN)	H(CCHN)	107.9610	0.285	3	107.9610	0.081	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMoCH)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NMoCH)(CHHS)(H)2	H(CCHN)	H(CCHN)	107.9678	0.216	6	107.9678	0.047	6	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMoHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NMoHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.8710	0.000	1	107.8710	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMoHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NMoHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.2234	0.291	13	108.2234	0.084	13	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NMoHH)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NMoHH)(CHHS)(H)2	H(CCHN)	H(CCHN)	108.2722	0.156	4	108.2722	0.024	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNi2C)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NNi2C)(CC3)(H)2	H(CCHN)	H(CCHN)	107.2370	0.997	2	107.2370	0.994	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNi2C)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NNi2C)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.2600	0.000	1	108.2600	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiCC)(CCCS)(H)2	H(CCHN)	H(CCHN)	C(NNiCC)(CCCS)(H)2	H(CCHN)	H(CCHN)	107.6046	0.180	15	107.6046	0.032	15	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NNiCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.4978	0.988	235	107.4978	0.977	235	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiCC)(CCHO)(H)2	H(CCHN)	H(CCHN)	C(NNiCC)(CCHO)(H)2	H(CCHN)	H(CCHN)	108.3705	0.639	15	108.3705	0.408	15	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiCC)(CCHS)(H)2	H(CCHN)	H(CCHN)	C(NNiCC)(CCHS)(H)2	H(CCHN)	H(CCHN)	107.9430	0.040	2	107.9430	0.002	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiCC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NNiCC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.5841	0.472	49	107.5841	0.223	49	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NNiCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.1190	1.332	511	108.1190	1.773	511	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NNiCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.9396	0.610	65	107.9396	0.372	65	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiCC)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NNiCC)(CHHP)(H)2	H(CCHN)	H(CCHN)	107.9363	0.051	4	107.9363	0.003	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiCC)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NNiCC)(CHHS)(H)2	H(CCHN)	H(CCHN)	108.0324	0.558	68	108.0324	0.311	68	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiCH)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NNiCH)(CC3)(H)2	H(CCHN)	H(CCHN)	107.4965	0.109	4	107.4965	0.012	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiCH)(CCCH)(H)2	H(CCHN)	H(CCHN)	C(NNiCH)(CCCH)(H)2	H(CCHN)	H(CCHN)	107.9737	0.029	3	107.9737	0.001	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiCH)(CCCN)(H)2	H(CCHN)	H(CCHN)	C(NNiCH)(CCCN)(H)2	H(CCHN)	H(CCHN)	107.9152	0.101	5	107.9152	0.010	5	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiCH)(CCCS)(H)2	H(CCHN)	H(CCHN)	C(NNiCH)(CCCS)(H)2	H(CCHN)	H(CCHN)	108.0690	0.180	2	108.0690	0.032	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NNiCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	108.0217	0.928	156	108.0217	0.862	156	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiCH)(CCHN)(H)2	H(CCHN)	H(CCHN)	C(NNiCH)(CCHN)(H)2	H(CCHN)	H(CCHN)	108.2423	0.109	3	108.2423	0.012	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiCH)(CCHO)(H)2	H(CCHN)	H(CCHN)	C(NNiCH)(CCHO)(H)2	H(CCHN)	H(CCHN)	107.7905	0.025	2	107.7905	0.001	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiCH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NNiCH)(CH3)(H)2	H(CCHN)	H(CCHN)	108.4239	1.118	7	108.4239	1.250	7	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NNiCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.3271	1.163	533	108.3271	1.354	533	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiCH)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NNiCH)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.9696	0.404	16	107.9696	0.164	16	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiCH)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NNiCH)(CHHP)(H)2	H(CCHN)	H(CCHN)	108.1718	0.143	20	108.1718	0.020	20	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiCH)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NNiCH)(CHHS)(H)2	H(CCHN)	H(CCHN)	108.2111	1.914	12	108.2111	3.663	12	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiCS)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NNiCS)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.9390	0.000	1	107.9390	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiDD)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NNiDD)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.3025	0.167	4	108.3025	0.028	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiHH)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NNiHH)(CC3)(H)2	H(CCHN)	H(CCHN)	107.4800	0.069	3	107.4800	0.005	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NNiHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.9471	2.627	53	107.9471	6.901	53	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiHH)(CCHN)(H)2	H(CCHN)	H(CCHN)	C(NNiHH)(CCHN)(H)2	H(CCHN)	H(CCHN)	107.9597	0.829	16	107.9597	0.687	16	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NNiHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.3807	1.306	364	108.3807	1.705	364	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiHH)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NNiHH)(CHHO)(H)2	H(CCHN)	H(CCHN)	108.2224	0.056	5	108.2224	0.003	5	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiHH)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NNiHH)(CHHS)(H)2	H(CCHN)	H(CCHN)	108.2557	0.289	7	108.2557	0.084	7	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NNiSiC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NNiSiC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.4630	0.223	2	107.4630	0.050	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NOsCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NOsCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.3363	1.074	3	108.3363	1.154	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NOsCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NOsCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.5380	0.045	2	107.5380	0.002	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NOsCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NOsCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0554	0.172	11	108.0554	0.030	11	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NOsCH)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NOsCH)(CHHP)(H)2	H(CCHN)	H(CCHN)	108.1910	0.208	9	108.1910	0.043	9	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NOsHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NOsHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	104.2765	5.003	2	104.2765	25.028	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NOsHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NOsHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	109.0885	0.736	27	109.0885	0.542	27	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPbCC)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NPbCC)(CHHS)(H)2	H(CCHN)	H(CCHN)	107.7920	0.078	2	107.7920	0.006	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPbHH)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NPbHH)(CHHS)(H)2	H(CCHN)	H(CCHN)	108.0055	0.033	2	108.0055	0.001	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPdCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NPdCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.3581	0.458	54	107.3581	0.210	54	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPdCC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NPdCC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.5832	0.232	60	107.5832	0.054	60	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPdCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NPdCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0700	1.006	200	108.0700	1.011	200	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPdCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NPdCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	109.1027	1.932	3	109.1027	3.734	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPdCC)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NPdCC)(CHHP)(H)2	H(CCHN)	H(CCHN)	107.9100	0.123	2	107.9100	0.015	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPdCH)(CCCH)(H)2	H(CCHN)	H(CCHN)	C(NPdCH)(CCCH)(H)2	H(CCHN)	H(CCHN)	107.4340	0.000	1	107.4340	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPdCH)(CCCN)(H)2	H(CCHN)	H(CCHN)	C(NPdCH)(CCCN)(H)2	H(CCHN)	H(CCHN)	107.4140	0.067	4	107.4140	0.004	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPdCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NPdCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.5415	0.843	11	107.5415	0.711	11	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPdCH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NPdCH)(CH3)(H)2	H(CCHN)	H(CCHN)	107.9306	0.135	10	107.9306	0.018	10	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPdCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NPdCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.4603	0.431	63	108.4603	0.186	63	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPdCH)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NPdCH)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.7533	0.197	3	107.7533	0.039	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPdCH)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NPdCH)(CHHP)(H)2	H(CCHN)	H(CCHN)	108.2616	0.114	11	108.2616	0.013	11	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPdCH)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NPdCH)(CHHS)(H)2	H(CCHN)	H(CCHN)	108.2660	0.219	13	108.2660	0.048	13	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPdHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NPdHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.4419	1.370	8	107.4419	1.876	8	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPdHH)(CCHO)(H)2	H(CCHN)	H(CCHN)	C(NPdHH)(CCHO)(H)2	H(CCHN)	H(CCHN)	107.8310	0.068	2	107.8310	0.005	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPdHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NPdHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.2421	0.656	78	108.2421	0.430	78	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPdHH)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NPdHH)(CHHP)(H)2	H(CCHN)	H(CCHN)	106.9535	0.258	2	106.9535	0.067	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPdHH)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NPdHH)(CHHS)(H)2	H(CCHN)	H(CCHN)	110.4780	2.104	3	110.4780	4.426	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPtCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NPtCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.5311	0.313	23	107.5311	0.098	23	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPtCC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NPtCC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.4844	0.274	13	107.4844	0.075	13	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPtCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NPtCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0928	0.395	57	108.0928	0.156	57	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPtCC)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NPtCC)(CHHP)(H)2	H(CCHN)	H(CCHN)	107.8335	0.139	10	107.8335	0.019	10	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPtCC)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NPtCC)(CHHS)(H)2	H(CCHN)	H(CCHN)	108.0550	0.000	1	108.0550	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPtCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NPtCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.6927	0.162	3	107.6927	0.026	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPtCH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NPtCH)(CH3)(H)2	H(CCHN)	H(CCHN)	107.7410	0.000	1	107.7410	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPtCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NPtCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.4212	0.449	30	108.4212	0.201	30	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPtCH)(CHPP)(H)2	H(CCHN)	H(CCHN)	C(NPtCH)(CHPP)(H)2	H(CCHN)	H(CCHN)	107.4700	0.000	1	107.4700	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPtHH)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NPtHH)(CC3)(H)2	H(CCHN)	H(CCHN)	107.5313	0.144	3	107.5313	0.021	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPtHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NPtHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.8787	0.174	10	107.8787	0.030	10	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPtHH)(CCHN)(H)2	H(CCHN)	H(CCHN)	C(NPtHH)(CCHN)(H)2	H(CCHN)	H(CCHN)	107.7340	0.168	2	107.7340	0.028	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPtHH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NPtHH)(CH3)(H)2	H(CCHN)	H(CCHN)	107.9220	0.092	2	107.9220	0.008	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPtHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NPtHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.6487	0.853	79	108.6487	0.728	79	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPtHH)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NPtHH)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.7120	0.000	1	107.7120	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NPtHH)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NPtHH)(CHHS)(H)2	H(CCHN)	H(CCHN)	108.2245	0.115	2	108.2245	0.013	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NReCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NReCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.3933	0.191	9	107.3933	0.036	9	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NReCC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NReCC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.4336	0.151	5	107.4336	0.023	5	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NReCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NReCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0990	0.274	12	108.0990	0.075	12	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NReCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NReCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.2895	0.240	4	107.2895	0.057	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NReCC)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NReCC)(CHHP)(H)2	H(CCHN)	H(CCHN)	107.7942	0.092	5	107.7942	0.008	5	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NReCC)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NReCC)(CHHS)(H)2	H(CCHN)	H(CCHN)	108.9986	2.589	16	108.9986	6.703	16	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NReCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NReCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.6930	0.470	7	107.6930	0.221	7	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NReCH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NReCH)(CH3)(H)2	H(CCHN)	H(CCHN)	107.5510	0.000	1	107.5510	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NReCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NReCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.2652	0.650	23	108.2652	0.422	23	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NReCH)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NReCH)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.7100	0.000	1	107.7100	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NReCH)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NReCH)(CHHP)(H)2	H(CCHN)	H(CCHN)	107.9367	0.773	12	107.9367	0.598	12	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NReCH)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NReCH)(CHHS)(H)2	H(CCHN)	H(CCHN)	108.0905	0.015	2	108.0905	0.000	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NReCS)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NReCS)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.9954	0.115	5	107.9954	0.013	5	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NReHH)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NReHH)(CC3)(H)2	H(CCHN)	H(CCHN)	107.6417	0.133	3	107.6417	0.018	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NReHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NReHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.8000	0.030	2	107.8000	0.001	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NReHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NReHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.3061	0.129	15	108.3061	0.017	15	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NReHH)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NReHH)(CHHS)(H)2	H(CCHN)	H(CCHN)	107.0101	4.003	6	107.0101	16.026	6	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRhCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NRhCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	110.8263	1.552	4	110.8263	2.408	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRhCC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NRhCC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.5084	0.202	14	107.5084	0.041	14	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRhCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NRhCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.1127	0.886	28	108.1127	0.785	28	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRhCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NRhCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	108.4492	2.990	6	108.4492	8.942	6	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRhCH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NRhCH)(CH3)(H)2	H(CCHN)	H(CCHN)	107.9503	0.096	3	107.9503	0.009	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRhCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NRhCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.3287	1.081	14	108.3287	1.169	14	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRhCH)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NRhCH)(CHHP)(H)2	H(CCHN)	H(CCHN)	108.3290	0.059	2	108.3290	0.004	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRhHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NRhHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.8719	0.711	7	107.8719	0.506	7	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRhHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NRhHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.2130	0.305	4	108.2130	0.093	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRhHH)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NRhHH)(CHHS)(H)2	H(CCHN)	H(CCHN)	108.0964	1.886	30	108.0964	3.558	30	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRu2C)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NRu2C)(CH3)(H)2	H(CCHN)	H(CCHN)	107.2240	0.000	1	107.2240	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRuBC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NRuBC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.6510	0.000	1	107.6510	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRuBC)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NRuBC)(CHHP)(H)2	H(CCHN)	H(CCHN)	107.8250	0.006	2	107.8250	0.000	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRuCC)(CCCS)(H)2	H(CCHN)	H(CCHN)	C(NRuCC)(CCCS)(H)2	H(CCHN)	H(CCHN)	107.2530	0.000	1	107.2530	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRuCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NRuCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	108.3006	1.140	17	108.3006	1.300	17	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRuCC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NRuCC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.4662	0.172	19	107.4662	0.030	19	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRuCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NRuCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0423	1.012	96	108.0423	1.024	96	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRuCC)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NRuCC)(CHHP)(H)2	H(CCHN)	H(CCHN)	107.8014	0.176	14	107.8014	0.031	14	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRuCC)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NRuCC)(CHHS)(H)2	H(CCHN)	H(CCHN)	107.7932	0.237	6	107.7932	0.056	6	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRuCH)(CCCO)(H)2	H(CCHN)	H(CCHN)	C(NRuCH)(CCCO)(H)2	H(CCHN)	H(CCHN)	108.0940	0.000	1	108.0940	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRuCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NRuCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.7020	0.271	5	107.7020	0.073	5	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRuCH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NRuCH)(CH3)(H)2	H(CCHN)	H(CCHN)	107.5777	0.152	3	107.5777	0.023	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRuCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NRuCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.2500	1.512	40	108.2500	2.285	40	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRuCH)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NRuCH)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.7169	0.151	7	107.7169	0.023	7	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRuCH)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NRuCH)(CHHP)(H)2	H(CCHN)	H(CCHN)	108.1808	0.317	26	108.1808	0.100	26	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRuCH)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NRuCH)(CHHS)(H)2	H(CCHN)	H(CCHN)	108.2782	0.208	14	108.2782	0.043	14	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRuHH)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NRuHH)(CC3)(H)2	H(CCHN)	H(CCHN)	107.4800	0.158	2	107.4800	0.025	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRuHH)(CCCO)(H)2	H(CCHN)	H(CCHN)	C(NRuHH)(CCCO)(H)2	H(CCHN)	H(CCHN)	108.2975	0.093	2	108.2975	0.009	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRuHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NRuHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	104.7548	4.674	6	104.7548	21.846	6	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRuHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NRuHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.7013	1.833	43	108.7013	3.359	43	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRuHH)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NRuHH)(CHHP)(H)2	H(CCHN)	H(CCHN)	108.4135	0.117	2	108.4135	0.014	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRuHH)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NRuHH)(CHHS)(H)2	H(CCHN)	H(CCHN)	107.9020	0.474	2	107.9020	0.224	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NRuHP)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NRuHP)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.9435	0.279	2	107.9435	0.078	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NSbCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NSbCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.9525	0.006	2	107.9525	0.000	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NSi2C)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NSi2C)(CH3)(H)2	H(CCHN)	H(CCHN)	105.9527	2.851	4	105.9527	8.128	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NSiSrC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NSiSrC)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.6040	0.107	2	107.6040	0.012	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NSiTiC)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NSiTiC)(CHHP)(H)2	H(CCHN)	H(CCHN)	107.6875	0.195	4	107.6875	0.038	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NSiZnC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NSiZnC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.5610	0.211	2	107.5610	0.044	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NSiZrC)(CHHP)(H)2	H(CCHN)	H(CCHN)	C(NSiZrC)(CHHP)(H)2	H(CCHN)	H(CCHN)	107.4610	0.202	2	107.4610	0.041	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NSi[5]LiC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NSi[5]LiC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.5482	0.310	5	107.5482	0.096	5	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NSmCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NSmCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.8134	0.215	8	107.8134	0.046	8	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NSmCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NSmCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0291	0.358	9	108.0291	0.128	9	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NSmHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NSmHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.9237	0.544	12	107.9237	0.296	12	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NSn2C)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NSn2C)(CH3)(H)2	H(CCHN)	H(CCHN)	107.5960	0.051	2	107.5960	0.003	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NSn2C)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NSn2C)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.2150	0.130	3	108.2150	0.017	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NSnCC)(CCCO)(H)2	H(CCHN)	H(CCHN)	C(NSnCC)(CCCO)(H)2	H(CCHN)	H(CCHN)	107.7513	0.141	56	107.7513	0.020	56	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NSnCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NSnCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	108.2255	0.223	2	108.2255	0.050	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NSnCC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NSnCC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.5130	0.000	1	107.5130	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NSnCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NSnCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.1813	0.229	6	108.1813	0.052	6	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NSnCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NSnCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	108.1546	0.441	16	108.1546	0.194	16	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NSnCH)(CCCO)(H)2	H(CCHN)	H(CCHN)	C(NSnCH)(CCCO)(H)2	H(CCHN)	H(CCHN)	108.2940	0.011	2	108.2940	0.000	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NSrCC)(CCCO)(H)2	H(CCHN)	H(CCHN)	C(NSrCC)(CCCO)(H)2	H(CCHN)	H(CCHN)	107.7180	0.000	1	107.7180	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NSrCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NSrCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.6730	0.039	6	107.6730	0.002	6	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NSrCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NSrCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	105.5753	3.703	3	105.5753	13.710	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NTcCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NTcCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.4020	0.000	1	107.4020	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NTcCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NTcCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.3253	0.637	6	108.3253	0.405	6	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NTcCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NTcCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.7810	0.649	2	107.7810	0.421	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NTcCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NTcCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0708	0.081	6	108.0708	0.007	6	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NTiCC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NTiCC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.5390	0.210	4	107.5390	0.044	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NTiCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NTiCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.0545	0.009	2	108.0545	0.000	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NTiCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NTiCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.8830	0.000	1	107.8830	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NTiCO)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NTiCO)(CH3)(H)2	H(CCHN)	H(CCHN)	107.7360	0.499	2	107.7360	0.249	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NZn2C)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NZn2C)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.1650	0.000	2	108.1650	0.000	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NZn2H)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NZn2H)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.2130	0.000	1	108.2130	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NZnCC)(CCCH)(H)2	H(CCHN)	H(CCHN)	C(NZnCC)(CCCH)(H)2	H(CCHN)	H(CCHN)	107.1230	0.000	1	107.1230	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NZnCC)(CCCO)(H)2	H(CCHN)	H(CCHN)	C(NZnCC)(CCCO)(H)2	H(CCHN)	H(CCHN)	107.7515	0.005	4	107.7515	0.000	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NZnCC)(CCCS)(H)2	H(CCHN)	H(CCHN)	C(NZnCC)(CCCS)(H)2	H(CCHN)	H(CCHN)	107.3138	0.088	5	107.3138	0.008	5	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NZnCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NZnCC)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.2205	1.485	51	107.2205	2.204	51	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NZnCC)(CCHO)(H)2	H(CCHN)	H(CCHN)	C(NZnCC)(CCHO)(H)2	H(CCHN)	H(CCHN)	108.2016	1.534	12	108.2016	2.352	12	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NZnCC)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NZnCC)(CH3)(H)2	H(CCHN)	H(CCHN)	107.5612	0.574	14	107.5612	0.329	14	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NZnCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NZnCC)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.1572	0.925	277	108.1572	0.855	277	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NZnCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NZnCC)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.6587	0.813	17	107.6587	0.661	17	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NZnCC)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NZnCC)(CHHS)(H)2	H(CCHN)	H(CCHN)	107.8383	0.811	26	107.8383	0.658	26	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NZnCH)(CC3)(H)2	H(CCHN)	H(CCHN)	C(NZnCH)(CC3)(H)2	H(CCHN)	H(CCHN)	107.0317	1.215	16	107.0317	1.477	16	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NZnCH)(CCCN)(H)2	H(CCHN)	H(CCHN)	C(NZnCH)(CCCN)(H)2	H(CCHN)	H(CCHN)	107.8970	0.000	1	107.8970	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NZnCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NZnCH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.8929	0.985	35	107.8929	0.970	35	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NZnCH)(CCHO)(H)2	H(CCHN)	H(CCHN)	C(NZnCH)(CCHO)(H)2	H(CCHN)	H(CCHN)	108.0800	0.498	2	108.0800	0.248	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NZnCH)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NZnCH)(CH3)(H)2	H(CCHN)	H(CCHN)	107.9585	0.056	2	107.9585	0.003	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NZnCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NZnCH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.2720	0.899	137	108.2720	0.808	137	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NZnCH)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NZnCH)(CHHO)(H)2	H(CCHN)	H(CCHN)	108.0615	0.132	4	108.0615	0.017	4	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NZnCH)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NZnCH)(CHHS)(H)2	H(CCHN)	H(CCHN)	108.0940	0.004	2	108.0940	0.000	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NZnCO)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NZnCO)(CH3)(H)2	H(CCHN)	H(CCHN)	107.5809	0.237	11	107.5809	0.056	11	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NZnCO)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NZnCO)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.1535	0.043	2	108.1535	0.002	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NZnHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NZnHH)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.6384	0.768	8	107.6384	0.589	8	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NZnHH)(CCHN)(H)2	H(CCHN)	H(CCHN)	C(NZnHH)(CCHN)(H)2	H(CCHN)	H(CCHN)	107.9850	0.140	5	107.9850	0.020	5	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NZnHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NZnHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	108.3282	1.302	103	108.3282	1.695	103	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NZnHH)(CHHO)(H)2	H(CCHN)	H(CCHN)	C(NZnHH)(CHHO)(H)2	H(CCHN)	H(CCHN)	107.5180	0.000	1	107.5180	0.000	1	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NZnHH)(CHHS)(H)2	H(CCHN)	H(CCHN)	C(NZnHH)(CHHS)(H)2	H(CCHN)	H(CCHN)	107.9283	0.101	3	107.9283	0.010	3	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:C-4:H-1:H-1:	C-4:	C-4:	C(NZnHO)(CCHH)(H)2	H(CCHN)	H(CCHN)	C(NZnHO)(CCHH)(H)2	H(CCHN)	H(CCHN)	107.7935	0.093	2	107.7935	0.009	2	108.0803	1.340	12270	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:N-4:H-1:H-1:	C-4:	C-4:	C(NAlCC)2(H)2	H(CHNN)	H(CHNN)	C(NAlCC)2(H)2	H(CHNN)	H(CHNN)	110.0020	0.000	1	110.0020	0.000	1	109.1270	0.575	3	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:N-4:H-1:H-1:	C-4:	C-4:	C(NMoCC)2(H)2	H(CHNN)	H(CHNN)	C(NMoCC)2(H)2	H(CHNN)	H(CHNN)	108.6720	0.000	1	108.6720	0.000	1	109.1270	0.575	3	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:N-4:H-1:H-1:	C-4:	C-4:	C(NNiCC)2(H)2	H(CHNN)	H(CHNN)	C(NNiCC)2(H)2	H(CHNN)	H(CHNN)	108.7070	0.000	1	108.7070	0.000	1	109.1270	0.575	3	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:P-4:H-1:H-1:	C-4:	C-4:	C(NCCH)(PCOO)(H)2	H(CHNP)	H(CHNP)	C(NCCH)(PCOO)(H)2	H(CHNP)	H(CHNP)	108.4570	0.000	1	108.4570	0.000	1	107.7120	1.068	72	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:P-4:H-1:H-1:	C-4:	C-4:	C(NCCH)(PHOO)(H)2	H(CHNP)	H(CHNP)	C(NCCH)(PHOO)(H)2	H(CHNP)	H(CHNP)	107.3756	0.296	10	107.3756	0.088	10	107.7120	1.068	72	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:P-4:H-1:H-1:	C-4:	C-4:	C(NCCH)(PO3)(H)2	H(CHNP)	H(CHNP)	C(NCCH)(PO3)(H)2	H(CHNP)	H(CHNP)	107.8588	1.101	20	107.8588	1.212	20	107.7120	1.068	72	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:P-4:H-1:H-1:	C-4:	C-4:	C(NCHH)(PHOO)(H)2	H(CHNP)	H(CHNP)	C(NCHH)(PHOO)(H)2	H(CHNP)	H(CHNP)	107.8700	0.045	2	107.8700	0.002	2	107.7120	1.068	72	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:P-4:H-1:H-1:	C-4:	C-4:	C(NCHH)(PO3)(H)2	H(CHNP)	H(CHNP)	C(NCHH)(PO3)(H)2	H(CHNP)	H(CHNP)	107.7475	1.519	21	107.7475	2.308	21	107.7120	1.068	72	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:P-4:H-1:H-1:	C-4:	C-4:	C(NC[6]2H)(PHOO)(H)2	H(CHNP)	H(CHNP)	C(NC[6]2H)(PHOO)(H)2	H(CHNP)	H(CHNP)	107.4030	0.000	1	107.4030	0.000	1	107.7120	1.068	72	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:P-4:H-1:H-1:	C-4:	C-4:	C(NC[6a]Al2)(PAlCC)(H)2	H(CHNP)	H(CHNP)	C(NC[6a]Al2)(PAlCC)(H)2	H(CHNP)	H(CHNP)	107.4030	0.000	1	107.4030	0.000	1	107.7120	1.068	72	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:P-4:H-1:H-1:	C-4:	C-4:	C(NCoCC)(PO3)(H)2	H(CHNP)	H(CHNP)	C(NCoCC)(PO3)(H)2	H(CHNP)	H(CHNP)	108.0110	0.021	2	108.0110	0.000	2	107.7120	1.068	72	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:P-4:H-1:H-1:	C-4:	C-4:	C(NCuCC)(PO3)(H)2	H(CHNP)	H(CHNP)	C(NCuCC)(PO3)(H)2	H(CHNP)	H(CHNP)	107.8170	0.000	1	107.8170	0.000	1	107.7120	1.068	72	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:P-4:H-1:H-1:	C-4:	C-4:	C(NH3)(PO3)(H)2	H(CHNP)	H(CHNP)	C(NH3)(PO3)(H)2	H(CHNP)	H(CHNP)	107.1130	0.716	2	107.1130	0.512	2	107.7120	1.068	72	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:P-4:H-1:H-1:	C-4:	C-4:	C(NLiCC)(PO3)(H)2	H(CHNP)	H(CHNP)	C(NLiCC)(PO3)(H)2	H(CHNP)	H(CHNP)	107.9940	0.000	1	107.9940	0.000	1	107.7120	1.068	72	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:P-4:H-1:H-1:	C-4:	C-4:	C(NMnCC)(PO3)(H)2	H(CHNP)	H(CHNP)	C(NMnCC)(PO3)(H)2	H(CHNP)	H(CHNP)	107.6730	0.000	1	107.6730	0.000	1	107.7120	1.068	72	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:P-4:H-1:H-1:	C-4:	C-4:	C(NNiCC)(PCOO)(H)2	H(CHNP)	H(CHNP)	C(NNiCC)(PCOO)(H)2	H(CHNP)	H(CHNP)	108.1260	0.000	1	108.1260	0.000	1	107.7120	1.068	72	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:P-4:H-1:H-1:	C-4:	C-4:	C(NNiCC)(PO3)(H)2	H(CHNP)	H(CHNP)	C(NNiCC)(PO3)(H)2	H(CHNP)	H(CHNP)	107.7457	0.432	6	107.7457	0.187	6	107.7120	1.068	72	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:P-4:H-1:H-1:	C-4:	C-4:	C(NNiHH)(PCOO)(H)2	H(CHNP)	H(CHNP)	C(NNiHH)(PCOO)(H)2	H(CHNP)	H(CHNP)	106.8110	0.000	1	106.8110	0.000	1	107.7120	1.068	72	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:P-4:H-1:H-1:	C-4:	C-4:	C(NZnCC)(PO3)(H)2	H(CHNP)	H(CHNP)	C(NZnCC)(PO3)(H)2	H(CHNP)	H(CHNP)	107.4860	0.000	1	107.4860	0.000	1	107.7120	1.068	72	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N-4:Si-4:H-1:H-1:	C-4:	C-4:	C(NLiCC)(SiC3)(H)2	H(CSiHN)	H(CSiHN)	C(NLiCC)(SiC3)(H)2	H(CSiHN)	H(CSiHN)	107.6297	0.134	6	107.6297	0.018	6	107.6297	0.018	6	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[3]C[3]2Cu)(CCCN)(H)2	H(CN[3]CH)	H(CN[3]CH)	C(N[3]C[3]2Cu)(CCCN)(H)2	H(CN[3]CH)	H(CN[3]CH)	108.1646	0.124	5	108.1646	0.015	5	108.1646	0.015	5	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[3x6]C[6,6]3)(CBrHH)(H)2	H(CN[3x6]CH)	H(CN[3x6]CH)	C(N[3x6]C[6,6]3)(CBrHH)(H)2	H(CN[3x6]CH)	H(CN[3x6]CH)	107.7275	0.054	6	107.7275	0.003	6	107.5118	0.044	29	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[3x6]C[6,6]3)(CCHH)(H)2	H(CN[3x6]CH)	H(CN[3x6]CH)	C(N[3x6]C[6,6]3)(CCHH)(H)2	H(CN[3x6]CH)	H(CN[3x6]CH)	107.4922	0.183	14	107.4922	0.033	14	107.5118	0.044	29	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[3x6]C[6,6]3)(CClHH)(H)2	H(CN[3x6]CH)	H(CN[3x6]CH)	C(N[3x6]C[6,6]3)(CClHH)(H)2	H(CN[3x6]CH)	H(CN[3x6]CH)	107.6600	0.000	1	107.6600	0.000	1	107.5118	0.044	29	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[3x6]C[6,6]3)(CFHH)(H)2	H(CN[3x6]CH)	H(CN[3x6]CH)	C(N[3x6]C[6,6]3)(CFHH)(H)2	H(CN[3x6]CH)	H(CN[3x6]CH)	107.3370	0.000	1	107.3370	0.000	1	107.5118	0.044	29	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[3x6]C[6,6]3)(CH3)(H)2	H(CN[3x6]CH)	H(CN[3x6]CH)	C(N[3x6]C[6,6]3)(CH3)(H)2	H(CN[3x6]CH)	H(CN[3x6]CH)	107.4534	0.205	5	107.4534	0.042	5	107.5118	0.044	29	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[3x6]C[6,6]3)(CHHO)(H)2	H(CN[3x6]CH)	H(CN[3x6]CH)	C(N[3x6]C[6,6]3)(CHHO)(H)2	H(CN[3x6]CH)	H(CN[3x6]CH)	107.0790	0.000	1	107.0790	0.000	1	107.5118	0.044	29	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[3x6]C[6,6]3)(CN[6]HH)(H)2	H(CN[3x6]CH)	H(CN[3x6]CH)	C(N[3x6]C[6,6]3)(CN[6]HH)(H)2	H(CN[3x6]CH)	H(CN[3x6]CH)	107.2420	0.000	1	107.2420	0.000	1	107.5118	0.044	29	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[4]B[4]2C)(CHHP)(H)2	H(CN[4]CH)	H(CN[4]CH)	C(N[4]B[4]2C)(CHHP)(H)2	H(CN[4]CH)	H(CN[4]CH)	107.7250	0.000	1	107.7250	0.000	1	108.0025	1.680	28	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[4]B[4]C[4]C)(CH3)(H)2	H(CN[4]CH)	H(CN[4]CH)	C(N[4]B[4]C[4]C)(CH3)(H)2	H(CN[4]CH)	H(CN[4]CH)	107.4937	0.200	3	107.4937	0.040	3	108.0025	1.680	28	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[4]C[4,6]C[4]H)(CCHH)(H)2	H(CN[4]CH)	H(CN[4]CH)	C(N[4]C[4,6]C[4]H)(CCHH)(H)2	H(CN[4]CH)	H(CN[4]CH)	108.3660	0.000	1	108.3660	0.000	1	108.0025	1.680	28	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[4]C[4]2Cu)(CHHN)(H)2	H(CN[4]CH)	H(CN[4]CH)	C(N[4]C[4]2Cu)(CHHN)(H)2	H(CN[4]CH)	H(CN[4]CH)	108.3777	0.108	11	108.3777	0.012	11	108.0025	1.680	28	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[4]C[4]2Li)(CCHH)(H)2	H(CN[4]CH)	H(CN[4]CH)	C(N[4]C[4]2Li)(CCHH)(H)2	H(CN[4]CH)	H(CN[4]CH)	107.9660	0.000	1	107.9660	0.000	1	108.0025	1.680	28	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[4]C[4]2Ni)(CHHN)(H)2	H(CN[4]CH)	H(CN[4]CH)	C(N[4]C[4]2Ni)(CHHN)(H)2	H(CN[4]CH)	H(CN[4]CH)	113.0520	0.000	1	113.0520	0.000	1	108.0025	1.680	28	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[4]Ga[4]2C)(CH3)(H)2	H(CN[4]CH)	H(CN[4]CH)	C(N[4]Ga[4]2C)(CH3)(H)2	H(CN[4]CH)	H(CN[4]CH)	107.6210	0.082	8	107.6210	0.007	8	108.0025	1.680	28	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[4]Ga[4]2H)(CC3)(H)2	H(CN[4]CH)	H(CN[4]CH)	C(N[4]Ga[4]2H)(CC3)(H)2	H(CN[4]CH)	H(CN[4]CH)	105.6785	2.265	2	105.6785	5.130	2	108.0025	1.680	28	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[4a,6a]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[4a,6a]B[3,3,4a,6a]B[3,4a,6a]C)(CH3)(H)2	H(CN[4a,6a]CH)	H(CN[4a,6a]CH)	C(N[4a,6a]B[3,3,4a,6a]B[3,4a,6a]C)(CH3)(H)2	H(CN[4a,6a]CH)	H(CN[4a,6a]CH)	107.5943	0.066	4	107.5943	0.004	4	107.5943	0.004	4	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5,5]B[5,5]C[5]2)(CCCH)(H)2	H(CN[5,5]CH)	H(CN[5,5]CH)	C(N[5,5]B[5,5]C[5]2)(CCCH)(H)2	H(CN[5,5]CH)	H(CN[5,5]CH)	107.3450	0.000	1	107.3450	0.000	1	108.0323	0.453	7	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	H(CN[5,5]CH)	H(CN[5,5]CH)	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	H(CN[5,5]CH)	H(CN[5,5]CH)	107.6000	0.000	1	107.6000	0.000	1	108.0323	0.453	7	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5,5]Ga[3x5]C[5]2)(CHHN)(H)2	H(CN[5,5]CH)	H(CN[5,5]CH)	C(N[5,5]Ga[3x5]C[5]2)(CHHN)(H)2	H(CN[5,5]CH)	H(CN[5,5]CH)	107.8990	0.127	2	107.8990	0.016	2	108.0323	0.453	7	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5,5]Ga[4x5]C[5]2)(CHHN)(H)2	H(CN[5,5]CH)	H(CN[5,5]CH)	C(N[5,5]Ga[4x5]C[5]2)(CHHN)(H)2	H(CN[5,5]CH)	H(CN[5,5]CH)	108.0295	0.268	2	108.0295	0.072	2	108.0323	0.453	7	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5,5]In[5,5]C[5]2)(CHHO)(H)2	H(CN[5,5]CH)	H(CN[5,5]CH)	C(N[5,5]In[5,5]C[5]2)(CHHO)(H)2	H(CN[5,5]CH)	H(CN[5,5]CH)	109.4240	0.000	1	109.4240	0.000	1	108.0323	0.453	7	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5,6]C[5,6]2C)(CH3)(H)2	H(CN[5,6]CH)	H(CN[5,6]CH)	C(N[5,6]C[5,6]2C)(CH3)(H)2	H(CN[5,6]CH)	H(CN[5,6]CH)	107.7050	0.023	2	107.7050	0.001	2	107.9013	0.116	3	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5,6]Ga[5,6]C[5]C[6])(CHHN)(H)2	H(CN[5,6]CH)	H(CN[5,6]CH)	C(N[5,6]Ga[5,6]C[5]C[6])(CHHN)(H)2	H(CN[5,6]CH)	H(CN[5,6]CH)	108.2940	0.000	1	108.2940	0.000	1	107.9013	0.116	3	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]B[5]C[5]C)(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]B[5]C[5]C)(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.3815	0.021	2	107.3815	0.000	2	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5]C[5]H)(CC[6a]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,5]C[5]H)(CC[6a]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6290	0.000	1	107.6290	0.000	1	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5]C[5]Ni)(CN[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,5]C[5]Ni)(CN[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9780	0.383	2	107.9780	0.147	2	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,5]C[5]O)(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,5]C[5]O)(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.3920	0.123	2	107.3920	0.015	2	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]C[5]C)(CC[5,5,6]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6]C[5]C)(CC[5,5,6]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.5650	0.000	2	107.5650	0.000	2	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6]C[5]H)(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5,6]C[5]H)(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8885	0.077	2	107.8885	0.006	2	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2C)(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2C)(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0936	1.495	29	108.0936	2.236	29	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2C)(CCHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2C)(CCHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.2410	0.000	1	107.2410	0.000	1	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2C)(CCo2C)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2C)(CCo2C)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.4110	0.000	1	107.4110	0.000	1	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2C)(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2C)(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6575	0.072	4	107.6575	0.005	4	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2C)(CHHO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2C)(CHHO)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8680	0.000	1	107.8680	0.000	1	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Cd)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2Cd)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0260	0.000	1	108.0260	0.000	1	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Cu)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2Cu)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.2864	0.122	9	108.2864	0.015	9	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Cu)(CN[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2Cu)(CN[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.3675	0.053	2	108.3675	0.003	2	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Fe)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2Fe)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.2170	0.000	1	108.2170	0.000	1	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2H)(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2H)(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.4397	1.407	3	108.4397	1.979	3	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2H)(CCHO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2H)(CCHO)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8740	0.000	1	107.8740	0.000	1	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2H)(CC[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2H)(CC[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.4487	0.168	3	107.4487	0.028	3	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2H)(CClHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2H)(CClHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6730	0.000	1	107.6730	0.000	1	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2H)(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2H)(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	109.5480	0.000	1	109.5480	0.000	1	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2H)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2H)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9080	0.000	1	107.9080	0.000	1	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2H)(CHHO)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2H)(CHHO)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.7634	0.120	5	107.7634	0.014	5	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2H)(CN[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2H)(CN[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.1660	0.000	1	108.1660	0.000	1	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Mg)(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2Mg)(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0643	0.228	3	108.0643	0.052	3	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Mg)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2Mg)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.1200	0.148	2	108.1200	0.022	2	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Mg)(CN[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2Mg)(CN[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8030	0.000	1	107.8030	0.000	1	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Mn)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2Mn)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9677	0.174	6	107.9677	0.030	6	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Mn)(CN[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2Mn)(CN[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.8417	0.196	3	107.8417	0.038	3	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Ni)(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2Ni)(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.4640	0.000	1	107.4640	0.000	1	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Ni)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2Ni)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9879	0.226	17	107.9879	0.051	17	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Re)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2Re)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	115.4180	0.000	1	115.4180	0.000	1	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Ru)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2Ru)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0870	0.000	1	108.0870	0.000	1	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Zn)(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2Zn)(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6730	0.000	1	107.6730	0.000	1	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Zn)(CC[5a]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2Zn)(CC[5a]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.5925	0.030	2	107.5925	0.001	2	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Zn)(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2Zn)(CH3)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.9015	0.156	2	107.9015	0.024	2	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Zn)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]2Zn)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.1528	0.232	10	108.1528	0.054	10	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]O[5]C)(CN[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]C[5]O[5]C)(CN[5]HH)(H)2	H(CN[5]CH)	H(CN[5]CH)	109.5040	0.000	1	109.5040	0.000	1	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]In[5,5]C[5]C)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]In[5,5]C[5]C)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.0693	0.093	3	108.0693	0.009	3	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]In[5,6]C[5,6]C)(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]In[5,6]C[5,6]C)(CCHH)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.3263	0.196	3	107.3263	0.038	3	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]In[5]C[5]C)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]In[5]C[5]C)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	107.6780	0.071	2	107.6780	0.005	2	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5]Si[5]C[5]C)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	C(N[5]Si[5]C[5]C)(CHHN)(H)2	H(CN[5]CH)	H(CN[5]CH)	108.2200	0.000	1	108.2200	0.000	1	108.0360	1.020	136	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(N[5]B[5,6]C[5]C)(C[5]C[5]2Fe)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	C(N[5]B[5,6]C[5]C)(C[5]C[5]2Fe)(H)2	H(CC[5]N[5]H)	H(CC[5]N[5]H)	107.6543	0.056	3	107.6543	0.003	3	107.6543	0.003	3	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:N[5]-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2Mo)2(H)2	H(CN[5]2H)	H(CN[5]2H)	C(N[5]C[5]2Mo)2(H)2	H(CN[5]2H)	H(CN[5]2H)	108.6290	0.000	1	108.6290	0.000	1	108.6290	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2C)(SiC3)(H)2	H(CN[5]SiH)	H(CN[5]SiH)	C(N[5]C[5]2C)(SiC3)(H)2	H(CN[5]SiH)	H(CN[5]SiH)	106.4230	0.000	1	106.4230	0.000	1	106.5390	0.027	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]2C)(SiC[6a]2C)(H)2	H(CN[5]SiH)	H(CN[5]SiH)	C(N[5]C[5]2C)(SiC[6a]2C)(H)2	H(CN[5]SiH)	H(CN[5]SiH)	106.6550	0.000	1	106.6550	0.000	1	106.5390	0.027	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[5a]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a]C)(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a]C)(CH3)(H)2	H(CN[5a]CH)	H(CN[5a]CH)	107.7510	0.011	2	107.7510	0.000	2	107.7510	0.000	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6,6]C[3x6]C[6,6]H)(CC[5a]HH)(H)2	H(CN[6,6]CH)	H(CN[6,6]CH)	C(N[6,6]C[3x6]C[6,6]H)(CC[5a]HH)(H)2	H(CN[6,6]CH)	H(CN[6,6]CH)	107.4123	0.074	3	107.4123	0.005	3	107.5394	0.064	5	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6,6]C[3x6]C[6,6]H)(CH3)(H)2	H(CN[6,6]CH)	H(CN[6,6]CH)	C(N[6,6]C[3x6]C[6,6]H)(CH3)(H)2	H(CN[6,6]CH)	H(CN[6,6]CH)	107.9800	0.000	1	107.9800	0.000	1	107.5394	0.064	5	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6,6]C[6,6]C[6]2)(CHHO)(H)2	H(CN[6,6]CH)	H(CN[6,6]CH)	C(N[6,6]C[6,6]C[6]2)(CHHO)(H)2	H(CN[6,6]CH)	H(CN[6,6]CH)	107.4800	0.000	1	107.4800	0.000	1	107.5394	0.064	5	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:B-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2H)(BF3)(H)2	H(CN[6]BH)	H(CN[6]BH)	C(N[6]C[6]2H)(BF3)(H)2	H(CN[6]BH)	H(CN[6]BH)	107.5220	0.000	1	107.5220	0.000	1	107.5220	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]C[6]Cu)(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6]C[6]Cu)(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.4980	0.000	1	107.4980	0.000	1	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.2900	0.000	1	107.2900	0.000	1	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.6460	0.000	1	107.6460	0.000	1	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]B[6]C)(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6,6a]B[6]C)(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.6870	0.375	2	107.6870	0.140	2	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Al)(CCHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Al)(CCHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	112.7940	0.000	1	112.7940	0.000	1	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Al)(CC[6a]HO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Al)(CC[6a]HO)(H)2	H(CN[6]CH)	H(CN[6]CH)	105.5910	0.000	1	105.5910	0.000	1	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Al)(CHHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Al)(CHHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	110.5340	5.020	2	110.5340	25.205	2	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2C)(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2C)(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.0496	1.101	8	108.0496	1.212	8	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2C)(CCo2C)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2C)(CCo2C)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.3100	0.046	3	107.3100	0.002	3	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2C)(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2C)(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.8658	0.682	4	107.8658	0.465	4	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2C)(CHHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2C)(CHHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.4660	0.158	3	107.4660	0.025	3	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2C)(CN[5]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2C)(CN[5]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7330	0.000	1	107.7330	0.000	1	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2C)(CN[5a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2C)(CN[5a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.6810	0.000	1	107.6810	0.000	1	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Cd)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Cd)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7157	0.087	4	107.7157	0.008	4	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Co)(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Co)(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.6680	0.006	2	107.6680	0.000	2	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Co)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Co)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.0315	0.147	4	108.0315	0.021	4	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Cr)(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Cr)(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	105.9765	1.444	6	105.9765	2.086	6	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Cu)(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Cu)(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.5540	1.007	12	107.5540	1.014	12	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Cu)(CC[6]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Cu)(CC[6]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.0220	0.000	1	108.0220	0.000	1	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Cu)(CC[6a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Cu)(CC[6a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.4670	0.000	1	107.4670	0.000	1	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Cu)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Cu)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.2626	0.727	10	108.2626	0.528	10	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Cu)(CHHS)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Cu)(CHHS)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.6552	0.236	4	107.6552	0.056	4	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Eu)(CC[5]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Eu)(CC[5]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.5300	0.000	1	107.5300	0.000	1	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Fe)(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Fe)(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.6420	0.099	3	107.6420	0.010	3	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Fe)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Fe)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.3525	0.695	4	108.3525	0.484	4	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2H)(CBCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2H)(CBCH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.1910	0.000	1	107.1910	0.000	1	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2H)(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2H)(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.0127	0.840	64	108.0127	0.705	64	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2H)(CCHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2H)(CCHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.6064	0.263	5	107.6064	0.069	5	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2H)(CC[5]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2H)(CC[5]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.8882	0.114	5	107.8882	0.013	5	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2H)(CC[5a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2H)(CC[5a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.3200	0.000	1	107.3200	0.000	1	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2H)(CC[5a]HO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2H)(CC[5a]HO)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.6890	0.000	1	107.6890	0.000	1	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2H)(CC[6a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2H)(CC[6a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.8945	0.272	6	107.8945	0.074	6	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2H)(CClHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2H)(CClHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7555	1.189	4	107.7555	1.413	4	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2H)(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2H)(CH3)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.6635	0.447	19	107.6635	0.199	19	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2H)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2H)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.0089	0.870	19	108.0089	0.757	19	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2H)(CHHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2H)(CHHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.2957	1.141	15	108.2957	1.301	15	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2H)(CHHS)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2H)(CHHS)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.4045	0.063	2	108.4045	0.004	2	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2H)(CN[5]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2H)(CN[5]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	110.5335	3.744	2	110.5335	14.019	2	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2H)(CN[5a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2H)(CN[5a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	111.1330	0.000	1	111.1330	0.000	1	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Ir)(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Ir)(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.4685	0.132	2	107.4685	0.017	2	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Ir)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Ir)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.8640	0.000	1	107.8640	0.000	1	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Li)(CC[6a]HN)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Li)(CC[6a]HN)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.6840	0.000	1	107.6840	0.000	1	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Mg)(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Mg)(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.5948	0.212	4	107.5948	0.045	4	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Mn)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Mn)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7638	0.112	4	107.7638	0.012	4	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Ni)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Ni)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.0913	0.198	19	108.0913	0.039	19	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Ni)(CHHS)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Ni)(CHHS)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.3680	0.140	4	108.3680	0.020	4	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Ni)(CN[6]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Ni)(CN[6]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	111.1430	1.396	2	111.1430	1.948	2	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2O)(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2O)(CCHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.4113	0.157	3	107.4113	0.025	3	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2O)(CCHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2O)(CCHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	112.6880	0.000	1	112.6880	0.000	1	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2O)(CC[6a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2O)(CC[6a]HH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7440	0.000	1	107.7440	0.000	1	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2O)(CHHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2O)(CHHO)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7480	0.151	2	107.7480	0.023	2	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Pd)(CHHP)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Pd)(CHHP)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.9820	0.000	1	107.9820	0.000	1	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Pd)(CHHS)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Pd)(CHHS)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.9350	0.089	2	107.9350	0.008	2	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Pd)(CSeHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Pd)(CSeHH)(H)2	H(CN[6]CH)	H(CN[6]CH)	107.7490	0.042	2	107.7490	0.002	2	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Ru)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Ru)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.0722	0.088	6	108.0722	0.008	6	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Zn)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]C[6]2Zn)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.0012	0.064	4	108.0012	0.004	4	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.1795	0.250	4	108.1795	0.063	4	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]In[4,6]C[6]C)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]In[4,6]C[6]C)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	108.0480	0.058	2	108.0480	0.003	2	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(N[6]In[6]C[6]C)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	C(N[6]In[6]C[6]C)(CHHN)(H)2	H(CN[6]CH)	H(CN[6]CH)	109.1015	1.066	2	109.1015	1.136	2	107.9821	1.091	293	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C[3]-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]C[6]C)(C[3]C[3]2H)(H)2	H(CC[3]N[6]H)	H(CC[3]N[6]H)	C(N[6]C[6,6]C[6]C)(C[3]C[3]2H)(H)2	H(CC[3]N[6]H)	H(CC[3]N[6]H)	107.6000	0.154	2	107.6000	0.024	2	108.1356	1.355	7	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:C[3]-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6]C[6]H)(C[3]C[3]2H)(H)2	H(CC[3]N[6]H)	H(CC[3]N[6]H)	C(N[6]C[6,6]C[6]H)(C[3]C[3]2H)(H)2	H(CC[3]N[6]H)	H(CC[3]N[6]H)	108.3498	1.351	5	108.3498	1.826	5	108.1356	1.355	7	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:N[6]-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Mo)2(H)2	H(CN[6]2H)	H(CN[6]2H)	C(N[6]C[6]2Mo)2(H)2	H(CN[6]2H)	H(CN[6]2H)	108.1900	0.000	1	108.1900	0.000	1	108.1900	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:P-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6,6a]C[6]Ru)(PC[6]2Ru)(H)2	H(CN[6]HP)	H(CN[6]HP)	C(N[6]C[6,6a]C[6]Ru)(PC[6]2Ru)(H)2	H(CN[6]HP)	H(CN[6]HP)	109.4740	0.037	2	109.4740	0.001	2	108.2742	1.335	11	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:P-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Cd)(PC[6a]2Ru)(H)2	H(CN[6]HP)	H(CN[6]HP)	C(N[6]C[6]2Cd)(PC[6a]2Ru)(H)2	H(CN[6]HP)	H(CN[6]HP)	107.5050	0.000	1	107.5050	0.000	1	108.2742	1.335	11	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:P-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2H)(PC[6a]OO)(H)2	H(CN[6]HP)	H(CN[6]HP)	C(N[6]C[6]2H)(PC[6a]OO)(H)2	H(CN[6]HP)	H(CN[6]HP)	107.4915	0.197	4	107.4915	0.039	4	108.2742	1.335	11	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:P-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2H)(PHOO)(H)2	H(CN[6]HP)	H(CN[6]HP)	C(N[6]C[6]2H)(PHOO)(H)2	H(CN[6]HP)	H(CN[6]HP)	107.5670	0.000	1	107.5670	0.000	1	108.2742	1.335	11	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:P-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2H)(PO3)(H)2	H(CN[6]HP)	H(CN[6]HP)	C(N[6]C[6]2H)(PO3)(H)2	H(CN[6]HP)	H(CN[6]HP)	109.0100	1.610	3	109.0100	2.592	3	108.2742	1.335	11	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2C)(SiC[6a]GeC)(H)2	H(CN[6]SiH)	H(CN[6]SiH)	C(N[6]C[6]2C)(SiC[6a]GeC)(H)2	H(CN[6]SiH)	H(CN[6]SiH)	106.4347	0.034	3	106.4347	0.001	3	106.7129	0.491	8	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2H)(SiC[6a]CC)(H)2	H(CN[6]SiH)	H(CN[6]SiH)	C(N[6]C[6]2H)(SiC[6a]CC)(H)2	H(CN[6]SiH)	H(CN[6]SiH)	106.7090	0.000	1	106.7090	0.000	1	106.7129	0.491	8	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2H)(SiC[6a]SiC)(H)2	H(CN[6]SiH)	H(CN[6]SiH)	C(N[6]C[6]2H)(SiC[6a]SiC)(H)2	H(CN[6]SiH)	H(CN[6]SiH)	106.9810	0.000	1	106.9810	0.000	1	106.7129	0.491	8	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Li)(SiC3)(H)2	H(CN[6]SiH)	H(CN[6]SiH)	C(N[6]C[6]2Li)(SiC3)(H)2	H(CN[6]SiH)	H(CN[6]SiH)	105.4880	0.000	1	105.4880	0.000	1	106.7129	0.491	8	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	N[6]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Zn)(SiCCN)(H)2	H(CN[6]SiH)	H(CN[6]SiH)	C(N[6]C[6]2Zn)(SiCCN)(H)2	H(CN[6]SiH)	H(CN[6]SiH)	107.6105	0.125	2	107.6105	0.016	2	106.7129	0.491	8	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Nb-4:Si-4:H-1:H-1:	C-4:	C-4:	C(NbCOO)(SiC3)(H)2	H(CNbSiH)	H(CNbSiH)	C(NbCOO)(SiC3)(H)2	H(CNbSiH)	H(CNbSiH)	107.0213	11.991	2	107.0213	143.775	2	107.0213	143.775	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	O-4:C-4:H-1:H-1:	C-4:	C-4:	C(OBa2Co)(CHHN)(H)2	H(CCHO)	H(CCHO)	C(OBa2Co)(CHHN)(H)2	H(CCHO)	H(CCHO)	108.3310	0.000	1	108.3310	0.000	1	108.4794	28.733	26	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	O-4:C-4:H-1:H-1:	C-4:	C-4:	C(OCdCoCu)(CHHN)(H)2	H(CCHO)	H(CCHO)	C(OCdCoCu)(CHHN)(H)2	H(CCHO)	H(CCHO)	109.6680	0.000	1	109.6680	0.000	1	108.4794	28.733	26	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	O-4:C-4:H-1:H-1:	C-4:	C-4:	C(OCr3)(CC3)(H)2	H(CCHO)	H(CCHO)	C(OCr3)(CC3)(H)2	H(CCHO)	H(CCHO)	107.8650	0.000	1	107.8650	0.000	1	108.4794	28.733	26	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	O-4:C-4:H-1:H-1:	C-4:	C-4:	C(OCrMo2)(CC3)(H)2	H(CCHO)	H(CCHO)	C(OCrMo2)(CC3)(H)2	H(CCHO)	H(CCHO)	107.7242	0.164	5	107.7242	0.027	5	108.4794	28.733	26	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	O-4:C-4:H-1:H-1:	C-4:	C-4:	C(OCrMo2)(CCCN)(H)2	H(CCHO)	H(CCHO)	C(OCrMo2)(CCCN)(H)2	H(CCHO)	H(CCHO)	107.7670	0.191	2	107.7670	0.036	2	108.4794	28.733	26	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	O-4:C-4:H-1:H-1:	C-4:	C-4:	C(OCuMo2)(CC3)(H)2	H(CCHO)	H(CCHO)	C(OCuMo2)(CC3)(H)2	H(CCHO)	H(CCHO)	107.6870	0.083	2	107.6870	0.007	2	108.4794	28.733	26	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	O-4:C-4:H-1:H-1:	C-4:	C-4:	C(OCuMo2)(CCCN)(H)2	H(CCHO)	H(CCHO)	C(OCuMo2)(CCCN)(H)2	H(CCHO)	H(CCHO)	107.4300	0.074	2	107.4300	0.005	2	108.4794	28.733	26	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	O-4:C-4:H-1:H-1:	C-4:	C-4:	C(OFe3)(CC3)(H)2	H(CCHO)	H(CCHO)	C(OFe3)(CC3)(H)2	H(CCHO)	H(CCHO)	107.6905	0.093	2	107.6905	0.009	2	108.4794	28.733	26	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	O-4:C-4:H-1:H-1:	C-4:	C-4:	C(OLi2Sn)(CHHN)(H)2	H(CCHO)	H(CCHO)	C(OLi2Sn)(CHHN)(H)2	H(CCHO)	H(CCHO)	107.6050	0.000	1	107.6050	0.000	1	108.4794	28.733	26	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	O-4:C-4:H-1:H-1:	C-4:	C-4:	C(OLiZn2)(CCHH)(H)2	H(CCHO)	H(CCHO)	C(OLiZn2)(CCHH)(H)2	H(CCHO)	H(CCHO)	107.7770	0.000	1	107.7770	0.000	1	108.4794	28.733	26	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	O-4:C-4:H-1:H-1:	C-4:	C-4:	C(OMn2Sb)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OMn2Sb)(CH3)(H)2	H(CCHO)	H(CCHO)	104.7970	0.000	1	104.7970	0.000	1	108.4794	28.733	26	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	O-4:C-4:H-1:H-1:	C-4:	C-4:	C(OMn3)(CH3)(H)2	H(CCHO)	H(CCHO)	C(OMn3)(CH3)(H)2	H(CCHO)	H(CCHO)	107.1220	0.000	1	107.1220	0.000	1	108.4794	28.733	26	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	O-4:C-4:H-1:H-1:	C-4:	C-4:	C(OMo2Ni)(CC3)(H)2	H(CCHO)	H(CCHO)	C(OMo2Ni)(CC3)(H)2	H(CCHO)	H(CCHO)	107.7295	0.030	2	107.7295	0.001	2	108.4794	28.733	26	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	O-4:C-4:H-1:H-1:	C-4:	C-4:	C(ONi2Sb)(CH3)(H)2	H(CCHO)	H(CCHO)	C(ONi2Sb)(CH3)(H)2	H(CCHO)	H(CCHO)	105.6380	0.000	1	105.6380	0.000	1	108.4794	28.733	26	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	O-4:C-4:H-1:H-1:	C-4:	C-4:	C(ONi3)(CH3)(H)2	H(CCHO)	H(CCHO)	C(ONi3)(CH3)(H)2	H(CCHO)	H(CCHO)	134.3030	0.000	1	134.3030	0.000	1	108.4794	28.733	26	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	O-4:C-4:H-1:H-1:	C-4:	C-4:	C(OSrCH)(CHHO)(H)2	H(CCHO)	H(CCHO)	C(OSrCH)(CHHO)(H)2	H(CCHO)	H(CCHO)	104.7610	0.000	1	104.7610	0.000	1	108.4794	28.733	26	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	O-4:C-4:H-1:H-1:	C-4:	C-4:	C(OZn3)(CC3)(H)2	H(CCHO)	H(CCHO)	C(OZn3)(CC3)(H)2	H(CCHO)	H(CCHO)	107.3680	0.000	1	107.3680	0.000	1	108.4794	28.733	26	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:B-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ag)(BC[6a]CC)(H)2	H(CBHP)	H(CBHP)	C(PC[6a]2Ag)(BC[6a]CC)(H)2	H(CBHP)	H(CBHP)	107.1877	0.372	3	107.1877	0.139	3	107.3573	0.331	200	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:B-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2B)(BHHN)(H)2	H(CBHP)	H(CBHP)	C(PC[6a]2B)(BHHN)(H)2	H(CBHP)	H(CBHP)	107.5560	0.000	1	107.5560	0.000	1	107.3573	0.331	200	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:B-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2C)(BC[6a]3)(H)2	H(CBHP)	H(CBHP)	C(PC[6a]2C)(BC[6a]3)(H)2	H(CBHP)	H(CBHP)	106.4160	0.000	1	106.4160	0.000	1	107.3573	0.331	200	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:B-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Co)(BC[6a]2C)(H)2	H(CBHP)	H(CBHP)	C(PC[6a]2Co)(BC[6a]2C)(H)2	H(CBHP)	H(CBHP)	106.5815	0.279	2	106.5815	0.078	2	107.3573	0.331	200	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:B-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Co)(BC[6a]CC)(H)2	H(CBHP)	H(CBHP)	C(PC[6a]2Co)(BC[6a]CC)(H)2	H(CBHP)	H(CBHP)	107.4639	0.222	47	107.4639	0.049	47	107.3573	0.331	200	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:B-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cr)(BC[6]CC)(H)2	H(CBHP)	H(CBHP)	C(PC[6a]2Cr)(BC[6]CC)(H)2	H(CBHP)	H(CBHP)	107.6688	0.201	17	107.6688	0.040	17	107.3573	0.331	200	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:B-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cr)(BC[6a]2C)(H)2	H(CBHP)	H(CBHP)	C(PC[6a]2Cr)(BC[6a]2C)(H)2	H(CBHP)	H(CBHP)	107.0235	0.168	2	107.0235	0.028	2	107.3573	0.331	200	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:B-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cr)(BC[6a]CC)(H)2	H(CBHP)	H(CBHP)	C(PC[6a]2Cr)(BC[6a]CC)(H)2	H(CBHP)	H(CBHP)	107.4486	0.213	9	107.4486	0.045	9	107.3573	0.331	200	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:B-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Fe)(BC[6a]CC)(H)2	H(CBHP)	H(CBHP)	C(PC[6a]2Fe)(BC[6a]CC)(H)2	H(CBHP)	H(CBHP)	107.6094	0.278	27	107.6094	0.077	27	107.3573	0.331	200	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:B-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)(BC[6a]2C)(H)2	H(CBHP)	H(CBHP)	C(PC[6a]2Ir)(BC[6a]2C)(H)2	H(CBHP)	H(CBHP)	106.6705	0.235	2	106.6705	0.055	2	107.3573	0.331	200	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:B-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)(BN[5]2C)(H)2	H(CBHP)	H(CBHP)	C(PC[6a]2Ir)(BN[5]2C)(H)2	H(CBHP)	H(CBHP)	107.3650	0.035	2	107.3650	0.001	2	107.3573	0.331	200	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:B-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)(BN[5]CC)(H)2	H(CBHP)	H(CBHP)	C(PC[6a]2Ir)(BN[5]CC)(H)2	H(CBHP)	H(CBHP)	107.4680	0.000	1	107.4680	0.000	1	107.3573	0.331	200	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:B-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Mo)(BC[6]CC)(H)2	H(CBHP)	H(CBHP)	C(PC[6a]2Mo)(BC[6]CC)(H)2	H(CBHP)	H(CBHP)	107.5145	0.105	6	107.5145	0.011	6	107.3573	0.331	200	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:B-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Mo)(BC[6a]2C)(H)2	H(CBHP)	H(CBHP)	C(PC[6a]2Mo)(BC[6a]2C)(H)2	H(CBHP)	H(CBHP)	106.8650	0.193	10	106.8650	0.037	10	107.3573	0.331	200	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:B-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Mo)(BC[6a]CC)(H)2	H(CBHP)	H(CBHP)	C(PC[6a]2Mo)(BC[6a]CC)(H)2	H(CBHP)	H(CBHP)	107.5058	0.183	5	107.5058	0.034	5	107.3573	0.331	200	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:B-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ni)(BC[6a]CC)(H)2	H(CBHP)	H(CBHP)	C(PC[6a]2Ni)(BC[6a]CC)(H)2	H(CBHP)	H(CBHP)	107.4562	0.263	18	107.4562	0.069	18	107.3573	0.331	200	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:B-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(BC[6a]2C)(H)2	H(CBHP)	H(CBHP)	C(PC[6a]2Pd)(BC[6a]2C)(H)2	H(CBHP)	H(CBHP)	106.2514	1.783	5	106.2514	3.178	5	107.3573	0.331	200	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:B-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(BC[6a]2C)(H)2	H(CBHP)	H(CBHP)	C(PC[6a]2Pt)(BC[6a]2C)(H)2	H(CBHP)	H(CBHP)	106.5965	1.853	4	106.5965	3.432	4	107.3573	0.331	200	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:B-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Rh)(BC[6a]CC)(H)2	H(CBHP)	H(CBHP)	C(PC[6a]2Rh)(BC[6a]CC)(H)2	H(CBHP)	H(CBHP)	107.5603	0.141	7	107.5603	0.020	7	107.3573	0.331	200	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:B-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Rh)(BN[5]2C)(H)2	H(CBHP)	H(CBHP)	C(PC[6a]2Rh)(BN[5]2C)(H)2	H(CBHP)	H(CBHP)	107.3900	0.000	1	107.3900	0.000	1	107.3573	0.331	200	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:B-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Rh)(BN[5]CC)(H)2	H(CBHP)	H(CBHP)	C(PC[6a]2Rh)(BN[5]CC)(H)2	H(CBHP)	H(CBHP)	107.4467	0.051	3	107.4467	0.003	3	107.3573	0.331	200	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:B-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(BC[6a]CC)(H)2	H(CBHP)	H(CBHP)	C(PC[6a]2Ru)(BC[6a]CC)(H)2	H(CBHP)	H(CBHP)	107.4758	0.189	17	107.4758	0.036	17	107.3573	0.331	200	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:B-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Sn)(BC[6a]2C)(H)2	H(CBHP)	H(CBHP)	C(PC[6a]2Sn)(BC[6a]2C)(H)2	H(CBHP)	H(CBHP)	107.0415	0.264	4	107.0415	0.070	4	107.3573	0.331	200	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:B-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2W)(BC[6]CC)(H)2	H(CBHP)	H(CBHP)	C(PC[6a]2W)(BC[6]CC)(H)2	H(CBHP)	H(CBHP)	107.5090	0.191	3	107.5090	0.037	3	107.3573	0.331	200	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:B-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Zr)(BC[6a]3)(H)2	H(CBHP)	H(CBHP)	C(PC[6a]2Zr)(BC[6a]3)(H)2	H(CBHP)	H(CBHP)	105.6830	0.000	1	105.6830	0.000	1	107.3573	0.331	200	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:B-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]3)(BF3)(H)2	H(CBHP)	H(CBHP)	C(PC[6a]3)(BF3)(H)2	H(CBHP)	H(CBHP)	106.1700	0.000	1	106.1700	0.000	1	107.3573	0.331	200	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:B-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[6]Pd)(BC[6a]2C)(H)2	H(CBHP)	H(CBHP)	C(PC[6a]C[6]Pd)(BC[6a]2C)(H)2	H(CBHP)	H(CBHP)	104.1100	0.000	1	104.1100	0.000	1	107.3573	0.331	200	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PAgCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PAgCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.5790	0.000	1	107.5790	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PAgCC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PAgCC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.6693	0.206	7	107.6693	0.043	7	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PAlCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PAlCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.4860	0.000	1	108.4860	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PAlCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PAlCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.9373	0.181	6	107.9373	0.033	6	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PAuCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PAuCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.5843	0.205	3	107.5843	0.042	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PAuCC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PAuCC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.6467	0.199	29	107.6467	0.040	29	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PBCC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PBCC)(CH3)(H)2	H(CCHP)	H(CCHP)	108.1439	1.728	34	108.1439	2.986	34	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PBCH)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PBCH)(CH3)(H)2	H(CCHP)	H(CCHP)	107.6587	0.178	8	107.6587	0.032	8	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PB[3]CC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PB[3]CC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.3880	0.159	3	107.3880	0.025	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PB[5a]CC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PB[5a]CC)(CH3)(H)2	H(CCHP)	H(CCHP)	108.0820	0.649	3	108.0820	0.421	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PBrCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PBrCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.5860	0.000	1	107.5860	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PCCH)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PCCH)(CH3)(H)2	H(CCHP)	H(CCHP)	107.9485	0.019	2	107.9485	0.000	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PCCN)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PCCN)(CH3)(H)2	H(CCHP)	H(CCHP)	107.4595	0.243	15	107.4595	0.059	15	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PCCO)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PCCO)(CH3)(H)2	H(CCHP)	H(CCHP)	107.6156	0.225	57	107.6156	0.051	57	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PCCP)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PCCP)(CH3)(H)2	H(CCHP)	H(CCHP)	107.2519	0.915	15	107.2519	0.836	15	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PCCS)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PCCS)(CH3)(H)2	H(CCHP)	H(CCHP)	107.6300	0.000	1	107.6300	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PCCV)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PCCV)(CH3)(H)2	H(CCHP)	H(CCHP)	107.5167	0.258	6	107.5167	0.067	6	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PCCW)(CC3)(H)2	H(CCHP)	H(CCHP)	C(PCCW)(CC3)(H)2	H(CCHP)	H(CCHP)	110.8993	3.483	3	110.8993	12.133	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PCCW)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PCCW)(CH3)(H)2	H(CCHP)	H(CCHP)	107.5908	0.883	47	107.5908	0.779	47	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PCNW)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PCNW)(CH3)(H)2	H(CCHP)	H(CCHP)	97.4033	0.000	1	97.4033	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[3x6]2Ag)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[3x6]2Ag)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.5110	0.000	1	107.5110	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[3x6]2Mn)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PC[3x6]2Mn)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.3737	0.031	3	108.3737	0.001	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[3x6]2Ru)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PC[3x6]2Ru)(CHHN)(H)2	H(CCHP)	H(CCHP)	107.6520	0.000	1	107.6520	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[4]CC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[4]CC)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.5860	0.206	3	107.5860	0.043	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[5,6]C[6a]2)(CBHH)(H)2	H(CCHP)	H(CCHP)	C(PC[5,6]C[6a]2)(CBHH)(H)2	H(CCHP)	H(CCHP)	107.8020	0.000	1	107.8020	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[5]CC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[5]CC)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.4185	0.221	2	107.4185	0.049	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[5]CW)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[5]CW)(CH3)(H)2	H(CCHP)	H(CCHP)	109.4634	0.054	18	109.4634	0.003	18	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[5]FeC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[5]FeC)(CH3)(H)2	H(CCHP)	H(CCHP)	109.4765	0.060	4	109.4765	0.004	4	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[5]HW)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[5]HW)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.0750	0.000	1	107.0750	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[5]Li2)(CC3)(H)2	H(CCHP)	H(CCHP)	C(PC[5]Li2)(CC3)(H)2	H(CCHP)	H(CCHP)	107.0540	0.000	1	107.0540	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[5]Mo2)(CHHS)(H)2	H(CCHP)	H(CCHP)	C(PC[5]Mo2)(CHHS)(H)2	H(CCHP)	H(CCHP)	108.3330	0.000	1	108.3330	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[5]MoC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[5]MoC)(CH3)(H)2	H(CCHP)	H(CCHP)	109.4379	0.055	13	109.4379	0.003	13	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[5]PdC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[5]PdC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.6043	0.074	4	107.6043	0.005	4	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[5]RuC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[5]RuC)(CH3)(H)2	H(CCHP)	H(CCHP)	108.9773	1.202	20	108.9773	1.445	20	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[5]RuC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[5]RuC)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.0945	0.133	6	108.0945	0.018	6	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[5a]2C[6a])(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[5a]2C[6a])(CH3)(H)2	H(CCHP)	H(CCHP)	107.7345	0.057	2	107.7345	0.003	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[5a]3)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[5a]3)(CH3)(H)2	H(CCHP)	H(CCHP)	107.6100	0.000	1	107.6100	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[5a]BC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[5a]BC)(CH3)(H)2	H(CCHP)	H(CCHP)	106.7158	3.437	5	106.7158	11.814	5	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[5a]CW)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[5a]CW)(CH3)(H)2	H(CCHP)	H(CCHP)	107.7100	0.276	11	107.7100	0.076	11	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2Au)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6]2Au)(CHHP)(H)2	H(CCHP)	H(CCHP)	109.6927	0.222	3	109.6927	0.049	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2B)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6]2B)(CHHN)(H)2	H(CCHP)	H(CCHP)	107.3720	0.205	3	107.3720	0.042	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2B)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6]2B)(CHHP)(H)2	H(CCHP)	H(CCHP)	109.3560	0.000	1	109.3560	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2Co)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6]2Co)(CHHN)(H)2	H(CCHP)	H(CCHP)	107.9137	0.703	3	107.9137	0.494	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2Cr)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6]2Cr)(CHHN)(H)2	H(CCHP)	H(CCHP)	107.8920	0.000	2	107.8920	0.000	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2Fe)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6]2Fe)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.4850	0.010	2	108.4850	0.000	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2Fe)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6]2Fe)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.1425	0.306	10	108.1425	0.094	10	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2Ir)(CN[5]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6]2Ir)(CN[5]HH)(H)2	H(CCHP)	H(CCHP)	107.7350	0.017	2	107.7350	0.000	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2Mo)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6]2Mo)(CHHP)(H)2	H(CCHP)	H(CCHP)	112.2900	6.877	2	112.2900	47.298	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2Ni)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6]2Ni)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.5799	1.239	30	107.5799	1.536	30	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2O)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6]2O)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.6982	0.303	5	107.6982	0.092	5	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2O)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[6]2O)(CH3)(H)2	H(CCHP)	H(CCHP)	107.9120	0.000	1	107.9120	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2O)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6]2O)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.7240	0.000	1	107.7240	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2Pd)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6]2Pd)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.4890	0.000	1	107.4890	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2Pd)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6]2Pd)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.0875	0.409	11	108.0875	0.167	11	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2Pt)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6]2Pt)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.4666	0.304	5	107.4666	0.093	5	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2Pt)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6]2Pt)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.8534	0.202	17	107.8534	0.041	17	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2Rh)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6]2Rh)(CCHH)(H)2	H(CCHP)	H(CCHP)	106.9640	0.410	2	106.9640	0.168	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2Rh)(CC[6]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6]2Rh)(CC[6]HH)(H)2	H(CCHP)	H(CCHP)	107.9570	0.000	1	107.9570	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2Rh)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6]2Rh)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.1495	0.153	4	108.1495	0.023	4	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2Ru)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6]2Ru)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.2397	0.240	3	107.2397	0.058	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2Ru)(CHHO)(H)2	H(CCHP)	H(CCHP)	C(PC[6]2Ru)(CHHO)(H)2	H(CCHP)	H(CCHP)	107.9640	0.027	3	107.9640	0.001	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2W)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6]2W)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.5885	0.663	12	108.5885	0.439	12	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]3)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6]3)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.0660	0.000	2	107.0660	0.000	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]BC)(CCHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6]BC)(CCHN)(H)2	H(CCHP)	H(CCHP)	106.6000	0.000	1	106.6000	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]CC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6]CC)(CCHH)(H)2	H(CCHP)	H(CCHP)	106.9210	0.000	1	106.9210	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]NiC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6]NiC)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.6055	0.215	8	107.6055	0.046	8	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6]RhC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6]RhC)(CCHH)(H)2	H(CCHP)	H(CCHP)	109.5310	0.000	1	109.5310	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ag)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ag)(CCHH)(H)2	H(CCHP)	H(CCHP)	108.2200	0.989	6	108.2200	0.978	6	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ag)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ag)(CHHP)(H)2	H(CCHP)	H(CCHP)	109.4288	0.136	6	109.4288	0.019	6	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Au)(CC3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Au)(CC3)(H)2	H(CCHP)	H(CCHP)	106.8467	0.255	3	106.8467	0.065	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Au)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Au)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.6785	0.260	18	107.6785	0.068	18	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Au)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Au)(CHHN)(H)2	H(CCHP)	H(CCHP)	107.8480	0.000	1	107.8480	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Au)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Au)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.4425	0.251	6	107.4425	0.063	6	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2B)(CCHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2B)(CCHN)(H)2	H(CCHP)	H(CCHP)	107.8100	0.000	1	107.8100	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2B)(CC[5]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2B)(CC[5]HH)(H)2	H(CCHP)	H(CCHP)	107.9400	0.000	1	107.9400	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Br)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Br)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.9660	0.206	3	107.9660	0.043	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2C)(CBHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2C)(CBHH)(H)2	H(CCHP)	H(CCHP)	107.8870	0.371	5	107.8870	0.138	5	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2C)(CC3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2C)(CC3)(H)2	H(CCHP)	H(CCHP)	106.5663	0.244	3	106.5663	0.060	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2C)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2C)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.6917	0.136	3	107.6917	0.018	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2C)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2C)(CH3)(H)2	H(CCHP)	H(CCHP)	108.0230	0.104	3	108.0230	0.011	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2C)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2C)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.8067	0.236	8	107.8067	0.056	8	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2C[5])(CBHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2C[5])(CBHH)(H)2	H(CCHP)	H(CCHP)	107.8700	0.042	2	107.8700	0.002	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cl)(CC3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Cl)(CC3)(H)2	H(CCHP)	H(CCHP)	106.8400	0.000	1	106.8400	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cl)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Cl)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.5670	0.030	2	107.5670	0.001	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Co)(CC3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Co)(CC3)(H)2	H(CCHP)	H(CCHP)	107.6726	1.022	11	107.6726	1.044	11	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Co)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Co)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.7263	0.377	22	107.7263	0.142	22	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Co)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Co)(CH3)(H)2	H(CCHP)	H(CCHP)	107.7480	0.000	1	107.7480	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Co)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Co)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.0987	0.592	18	108.0987	0.350	18	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Co)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Co)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.3857	0.247	29	108.3857	0.061	29	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cr)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Cr)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.0563	0.911	3	107.0563	0.830	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cr)(CC[5]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Cr)(CC[5]HH)(H)2	H(CCHP)	H(CCHP)	108.8715	0.363	2	108.8715	0.132	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cr)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Cr)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.3800	0.000	1	108.3800	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cr)(CRhCC)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Cr)(CRhCC)(H)2	H(CCHP)	H(CCHP)	108.3803	0.792	3	108.3803	0.628	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cu)(CC3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Cu)(CC3)(H)2	H(CCHP)	H(CCHP)	107.4899	0.737	17	107.4899	0.544	17	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cu)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Cu)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.7629	0.829	57	107.7629	0.688	57	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cu)(CC[5]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Cu)(CC[5]HH)(H)2	H(CCHP)	H(CCHP)	106.7690	0.182	3	106.7690	0.033	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cu)(CC[6]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Cu)(CC[6]HH)(H)2	H(CCHP)	H(CCHP)	107.9165	0.114	2	107.9165	0.013	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cu)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Cu)(CH3)(H)2	H(CCHP)	H(CCHP)	106.2458	1.063	6	106.2458	1.130	6	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cu)(CHHO)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Cu)(CHHO)(H)2	H(CCHP)	H(CCHP)	107.6985	0.128	2	107.6985	0.016	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cu)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Cu)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.1357	0.421	73	108.1357	0.177	73	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cu)(CHHS)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Cu)(CHHS)(H)2	H(CCHP)	H(CCHP)	107.9615	0.267	2	107.9615	0.071	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cu)(CSiHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Cu)(CSiHH)(H)2	H(CCHP)	H(CCHP)	107.8508	0.143	9	107.8508	0.020	9	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Fe)(CC3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Fe)(CC3)(H)2	H(CCHP)	H(CCHP)	107.2062	0.222	34	107.2062	0.049	34	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Fe)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Fe)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.8240	0.949	15	107.8240	0.901	15	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Fe)(CCHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Fe)(CCHN)(H)2	H(CCHP)	H(CCHP)	107.9090	0.047	2	107.9090	0.002	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Fe)(CCHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Fe)(CCHP)(H)2	H(CCHP)	H(CCHP)	108.2009	0.390	14	108.2009	0.152	14	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Fe)(CC[6a]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Fe)(CC[6a]HH)(H)2	H(CCHP)	H(CCHP)	107.6840	0.144	2	107.6840	0.021	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Fe)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Fe)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.4529	0.710	18	108.4529	0.505	18	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Fe)(CHHO)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Fe)(CHHO)(H)2	H(CCHP)	H(CCHP)	108.1260	0.000	1	108.1260	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Fe)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Fe)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.2419	0.503	348	108.2419	0.253	348	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Fe)(CHHS)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Fe)(CHHS)(H)2	H(CCHP)	H(CCHP)	108.1690	0.309	5	108.1690	0.096	5	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Fe)(CN[5]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Fe)(CN[5]HH)(H)2	H(CCHP)	H(CCHP)	107.5950	0.000	1	107.5950	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ga)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ga)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.5800	0.811	3	108.5800	0.657	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2H)(CBHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2H)(CBHH)(H)2	H(CCHP)	H(CCHP)	108.1115	0.139	2	108.1115	0.019	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2H)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2H)(CCHH)(H)2	H(CCHP)	H(CCHP)	110.0830	0.000	1	110.0830	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2H)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2H)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.9280	0.000	1	107.9280	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)(CC3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ir)(CC3)(H)2	H(CCHP)	H(CCHP)	107.2406	0.342	5	107.2406	0.117	5	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)(CCCO)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ir)(CCCO)(H)2	H(CCHP)	H(CCHP)	108.0730	0.105	3	108.0730	0.011	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ir)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.3742	2.726	17	107.3742	7.433	17	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)(CCHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ir)(CCHP)(H)2	H(CCHP)	H(CCHP)	108.2755	0.270	4	108.2755	0.073	4	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ir)(CH3)(H)2	H(CCHP)	H(CCHP)	107.8250	0.000	1	107.8250	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ir)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.3520	0.137	2	108.3520	0.019	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)(CHHO)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ir)(CHHO)(H)2	H(CCHP)	H(CCHP)	108.1510	0.000	1	108.1510	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ir)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.2041	0.638	8	108.2041	0.407	8	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)(CHHS)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ir)(CHHS)(H)2	H(CCHP)	H(CCHP)	108.3390	0.038	2	108.3390	0.001	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)(CIrBH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ir)(CIrBH)(H)2	H(CCHP)	H(CCHP)	110.2110	0.010	2	110.2110	0.000	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)(CN[5]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ir)(CN[5]HH)(H)2	H(CCHP)	H(CCHP)	107.7293	0.482	20	107.7293	0.232	20	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)(CN[5a]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ir)(CN[5a]HH)(H)2	H(CCHP)	H(CCHP)	107.6450	0.000	1	107.6450	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Mn)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Mn)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.7730	0.182	7	107.7730	0.033	7	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Mn)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Mn)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.3005	0.368	6	108.3005	0.136	6	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Mo)(CC3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Mo)(CC3)(H)2	H(CCHP)	H(CCHP)	107.5611	0.868	7	107.5611	0.753	7	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Mo)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Mo)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.4524	0.327	19	107.4524	0.107	19	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Mo)(CC[5]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Mo)(CC[5]HH)(H)2	H(CCHP)	H(CCHP)	108.7008	0.161	5	108.7008	0.026	5	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Mo)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Mo)(CH3)(H)2	H(CCHP)	H(CCHP)	107.6690	0.000	1	107.6690	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Mo)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Mo)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.2475	0.217	2	108.2475	0.047	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Mo)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Mo)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.4240	0.859	92	108.4240	0.737	92	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2N)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2N)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.0160	0.000	1	108.0160	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ni)(CBHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ni)(CBHH)(H)2	H(CCHP)	H(CCHP)	108.0340	0.000	1	108.0340	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ni)(CC3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ni)(CC3)(H)2	H(CCHP)	H(CCHP)	106.8639	2.479	17	106.8639	6.144	17	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ni)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ni)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.6213	0.483	19	107.6213	0.234	19	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ni)(CC[5]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ni)(CC[5]HH)(H)2	H(CCHP)	H(CCHP)	107.5665	0.189	4	107.5665	0.036	4	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ni)(CC[6]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ni)(CC[6]HH)(H)2	H(CCHP)	H(CCHP)	108.2530	0.000	1	108.2530	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ni)(CC[6a]HN)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ni)(CC[6a]HN)(H)2	H(CCHP)	H(CCHP)	108.5410	0.000	1	108.5410	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ni)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ni)(CH3)(H)2	H(CCHP)	H(CCHP)	107.8317	0.151	4	107.8317	0.023	4	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ni)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ni)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.6694	0.200	8	108.6694	0.040	8	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ni)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ni)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.5767	0.649	167	108.5767	0.422	167	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ni)(CHHS)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ni)(CHHS)(H)2	H(CCHP)	H(CCHP)	108.6645	0.621	4	108.6645	0.385	4	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ni)(CN[5]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ni)(CN[5]HH)(H)2	H(CCHP)	H(CCHP)	107.7223	0.080	4	107.7223	0.006	4	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2O)(CC3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2O)(CC3)(H)2	H(CCHP)	H(CCHP)	107.0646	0.241	7	107.0646	0.058	7	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2O)(CCCH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2O)(CCCH)(H)2	H(CCHP)	H(CCHP)	107.5350	0.000	1	107.5350	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2O)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2O)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.8403	0.403	7	107.8403	0.162	7	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2O)(CCHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2O)(CCHN)(H)2	H(CCHP)	H(CCHP)	107.5750	0.000	1	107.5750	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2O)(CCHO)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2O)(CCHO)(H)2	H(CCHP)	H(CCHP)	107.3190	0.000	1	107.3190	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2O)(CC[4]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2O)(CC[4]HH)(H)2	H(CCHP)	H(CCHP)	108.0390	0.000	1	108.0390	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2O)(CC[5]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2O)(CC[5]HH)(H)2	H(CCHP)	H(CCHP)	108.1960	0.185	4	108.1960	0.034	4	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2O)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2O)(CH3)(H)2	H(CCHP)	H(CCHP)	107.0460	0.000	1	107.0460	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2O)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2O)(CHHN)(H)2	H(CCHP)	H(CCHP)	107.7895	0.426	4	107.7895	0.181	4	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2O)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2O)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.8458	0.262	26	107.8458	0.069	26	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2O)(CHPP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2O)(CHPP)(H)2	H(CCHP)	H(CCHP)	107.7682	0.197	4	107.7682	0.039	4	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2O)(CSnHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2O)(CSnHH)(H)2	H(CCHP)	H(CCHP)	108.4820	0.000	1	108.4820	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Os)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Os)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.8805	0.013	2	107.8805	0.000	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Os)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Os)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.5520	0.199	2	108.5520	0.040	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Os)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Os)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.3557	0.602	21	108.3557	0.363	21	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Os)(CHHS)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Os)(CHHS)(H)2	H(CCHP)	H(CCHP)	107.5796	0.340	8	107.5796	0.115	8	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Os)(CN[5]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Os)(CN[5]HH)(H)2	H(CCHP)	H(CCHP)	107.4677	0.064	8	107.4677	0.004	8	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2P)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2P)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.4800	0.000	2	107.4800	0.000	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2P)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2P)(CH3)(H)2	H(CCHP)	H(CCHP)	107.5720	0.000	1	107.5720	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2P)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2P)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.0220	0.000	1	108.0220	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pb)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pb)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.8800	0.000	1	107.8800	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(CAsCH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pd)(CAsCH)(H)2	H(CCHP)	H(CCHP)	107.7775	0.091	2	107.7775	0.008	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(CC3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pd)(CC3)(H)2	H(CCHP)	H(CCHP)	107.9694	1.337	5	107.9694	1.788	5	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pd)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.7055	0.682	100	107.7055	0.465	100	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(CCHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pd)(CCHP)(H)2	H(CCHP)	H(CCHP)	108.2022	0.170	9	108.2022	0.029	9	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(CCHS)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pd)(CCHS)(H)2	H(CCHP)	H(CCHP)	108.1113	0.238	10	108.1113	0.057	10	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(CC[5]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pd)(CC[5]HH)(H)2	H(CCHP)	H(CCHP)	107.8720	0.069	2	107.8720	0.005	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(CC[6]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pd)(CC[6]HH)(H)2	H(CCHP)	H(CCHP)	107.8297	0.216	3	107.8297	0.047	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(CC[6a]HN)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pd)(CC[6a]HN)(H)2	H(CCHP)	H(CCHP)	107.4170	0.339	3	107.4170	0.115	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pd)(CH3)(H)2	H(CCHP)	H(CCHP)	109.3760	0.000	1	109.3760	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pd)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.1335	0.425	23	108.1335	0.180	23	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(CHHO)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pd)(CHHO)(H)2	H(CCHP)	H(CCHP)	107.7807	0.395	3	107.7807	0.156	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pd)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.6332	0.866	110	108.6332	0.749	110	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(CHHS)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pd)(CHHS)(H)2	H(CCHP)	H(CCHP)	107.8746	0.510	5	107.8746	0.260	5	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(CN[5]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pd)(CN[5]HH)(H)2	H(CCHP)	H(CCHP)	107.9164	0.269	9	107.9164	0.072	9	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(CC3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pt)(CC3)(H)2	H(CCHP)	H(CCHP)	109.4230	0.000	1	109.4230	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(CCCO)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pt)(CCCO)(H)2	H(CCHP)	H(CCHP)	108.2150	0.000	1	108.2150	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pt)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.6569	0.425	89	107.6569	0.180	89	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(CCHS)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pt)(CCHS)(H)2	H(CCHP)	H(CCHP)	108.4610	0.000	1	108.4610	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pt)(CH3)(H)2	H(CCHP)	H(CCHP)	107.5655	0.040	2	107.5655	0.002	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pt)(CHHN)(H)2	H(CCHP)	H(CCHP)	107.3995	0.399	17	107.3995	0.159	17	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(CHHO)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pt)(CHHO)(H)2	H(CCHP)	H(CCHP)	107.5770	0.254	6	107.5770	0.065	6	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pt)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.3269	0.753	201	108.3269	0.567	201	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(CHHS)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pt)(CHHS)(H)2	H(CCHP)	H(CCHP)	108.1836	0.286	30	108.1836	0.082	30	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(CN[5]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pt)(CN[5]HH)(H)2	H(CCHP)	H(CCHP)	107.9725	0.456	4	107.9725	0.208	4	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(CSeHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pt)(CSeHH)(H)2	H(CCHP)	H(CCHP)	108.1048	0.109	6	108.1048	0.012	6	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(CSnHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Pt)(CSnHH)(H)2	H(CCHP)	H(CCHP)	107.8710	0.000	1	107.8710	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Re)(CC3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Re)(CC3)(H)2	H(CCHP)	H(CCHP)	107.3485	0.171	20	107.3485	0.029	20	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Re)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Re)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.5669	0.251	11	107.5669	0.063	11	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Re)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Re)(CH3)(H)2	H(CCHP)	H(CCHP)	107.6690	0.188	2	107.6690	0.035	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Re)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Re)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.0679	0.304	9	108.0679	0.093	9	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Re)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Re)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.5552	0.919	33	108.5552	0.844	33	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Rh)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Rh)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.7203	1.372	12	107.7203	1.883	12	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Rh)(CCHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Rh)(CCHP)(H)2	H(CCHP)	H(CCHP)	108.0463	0.415	4	108.0463	0.172	4	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Rh)(CC[5]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Rh)(CC[5]HH)(H)2	H(CCHP)	H(CCHP)	108.1732	0.605	4	108.1732	0.366	4	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Rh)(CHHO)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Rh)(CHHO)(H)2	H(CCHP)	H(CCHP)	108.2120	0.908	7	108.2120	0.824	7	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Rh)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Rh)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.3073	0.527	33	108.3073	0.277	33	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Rh)(CHHS)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Rh)(CHHS)(H)2	H(CCHP)	H(CCHP)	108.4032	0.434	18	108.4032	0.189	18	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Rh)(CN[5]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Rh)(CN[5]HH)(H)2	H(CCHP)	H(CCHP)	107.8369	0.345	7	107.8369	0.119	7	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Rh)(CRhBH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Rh)(CRhBH)(H)2	H(CCHP)	H(CCHP)	110.1410	0.000	1	110.1410	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(CC3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ru)(CC3)(H)2	H(CCHP)	H(CCHP)	107.2451	0.335	26	107.2451	0.112	26	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ru)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.5028	0.451	64	107.5028	0.203	64	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(CCHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ru)(CCHN)(H)2	H(CCHP)	H(CCHP)	108.6910	1.469	3	108.6910	2.158	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(CCHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ru)(CCHP)(H)2	H(CCHP)	H(CCHP)	107.8021	0.314	8	107.8021	0.099	8	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(CC[5]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ru)(CC[5]HH)(H)2	H(CCHP)	H(CCHP)	107.2373	0.421	3	107.2373	0.178	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(CC[6]CC)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ru)(CC[6]CC)(H)2	H(CCHP)	H(CCHP)	107.4475	0.193	2	107.4475	0.037	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(CC[6]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ru)(CC[6]HH)(H)2	H(CCHP)	H(CCHP)	108.4460	0.000	1	108.4460	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(CC[6a]HN)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ru)(CC[6a]HN)(H)2	H(CCHP)	H(CCHP)	108.3240	0.000	1	108.3240	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ru)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.0867	0.759	21	108.0867	0.577	21	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(CHHO)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ru)(CHHO)(H)2	H(CCHP)	H(CCHP)	108.7313	0.784	13	108.7313	0.615	13	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ru)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.1597	1.170	344	108.1597	1.369	344	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(CHPP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ru)(CHPP)(H)2	H(CCHP)	H(CCHP)	108.5590	0.000	1	108.5590	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(CN[5]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ru)(CN[5]HH)(H)2	H(CCHP)	H(CCHP)	107.7085	0.491	6	107.7085	0.241	6	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(CN[5a]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Ru)(CN[5a]HH)(H)2	H(CCHP)	H(CCHP)	108.1980	0.000	1	108.1980	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2S)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2S)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.6140	0.117	2	107.6140	0.014	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2S)(CC[4]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2S)(CC[4]HH)(H)2	H(CCHP)	H(CCHP)	108.1150	0.000	1	108.1150	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2S)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2S)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.9600	0.287	2	107.9600	0.082	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Sb)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Sb)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.9235	0.040	2	107.9235	0.002	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Se)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Se)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.7340	0.000	1	107.7340	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Se)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Se)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.8750	0.218	9	107.8750	0.048	9	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Sm)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Sm)(CCHH)(H)2	H(CCHP)	H(CCHP)	106.7290	0.000	1	106.7290	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Sn)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Sn)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.9190	0.000	1	107.9190	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Tc)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Tc)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.0800	0.136	2	108.0800	0.018	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Tc)(CHHS)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Tc)(CHHS)(H)2	H(CCHP)	H(CCHP)	107.6245	0.138	2	107.6245	0.019	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Te)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Te)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.6780	0.246	2	107.6780	0.061	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2U)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2U)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.2960	0.000	1	107.2960	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2W)(CC3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2W)(CC3)(H)2	H(CCHP)	H(CCHP)	106.9735	0.078	2	106.9735	0.006	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2W)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2W)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.6960	0.000	1	107.6960	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2W)(CC[5]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2W)(CC[5]HH)(H)2	H(CCHP)	H(CCHP)	108.6060	0.208	3	108.6060	0.043	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2W)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2W)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.2115	0.134	6	108.2115	0.018	6	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2W)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2W)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.4098	1.026	101	108.4098	1.053	101	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2W)(CHHS)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2W)(CHHS)(H)2	H(CCHP)	H(CCHP)	109.4300	0.000	1	109.4300	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Zr)(CBHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2Zr)(CBHH)(H)2	H(CCHP)	H(CCHP)	107.7440	0.369	2	107.7440	0.136	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]3)(CAlHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]3)(CAlHH)(H)2	H(CCHP)	H(CCHP)	106.8510	0.448	4	106.8510	0.200	4	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]3)(CC3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]3)(CC3)(H)2	H(CCHP)	H(CCHP)	109.7990	2.191	2	109.7990	4.799	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]3)(CCCH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]3)(CCCH)(H)2	H(CCHP)	H(CCHP)	107.3075	0.066	2	107.3075	0.004	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]3)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]3)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.9573	0.701	29	107.9573	0.491	29	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]3)(CFeCH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]3)(CFeCH)(H)2	H(CCHP)	H(CCHP)	108.0100	0.000	1	108.0100	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]3)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]3)(CH3)(H)2	H(CCHP)	H(CCHP)	107.9274	1.252	28	107.9274	1.567	28	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]3)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]3)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.8910	0.277	2	107.8910	0.077	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]AgC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]AgC)(CHHP)(H)2	H(CCHP)	H(CCHP)	109.4848	0.121	6	109.4848	0.015	6	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]AlC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]AlC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.6190	0.000	1	107.6190	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]Au2)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]Au2)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.4652	0.199	6	107.4652	0.040	6	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]BC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]BC)(CCHH)(H)2	H(CCHP)	H(CCHP)	108.6727	0.692	3	108.6727	0.479	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]BC)(CHHO)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]BC)(CHHO)(H)2	H(CCHP)	H(CCHP)	107.4444	0.235	7	107.4444	0.055	7	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]BC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]BC)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.8108	0.220	15	107.8108	0.049	15	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]BH)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]BH)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.2700	0.078	2	107.2700	0.006	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]CC)(CBHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]CC)(CBHH)(H)2	H(CCHP)	H(CCHP)	107.0450	0.000	1	107.0450	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]CC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]CC)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.3794	0.278	7	107.3794	0.078	7	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]CC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]CC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.6067	0.213	15	107.6067	0.045	15	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]CC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]CC)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.7670	0.109	2	107.7670	0.012	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]CH)(CBHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]CH)(CBHH)(H)2	H(CCHP)	H(CCHP)	107.6860	0.091	2	107.6860	0.008	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]CO)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]CO)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.5670	0.008	2	107.5670	0.000	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]CO)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]CO)(CH3)(H)2	H(CCHP)	H(CCHP)	107.6700	0.000	1	107.6700	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]CO)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]CO)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.3210	0.000	1	108.3210	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]CO)(CHHS)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]CO)(CHHS)(H)2	H(CCHP)	H(CCHP)	107.5910	1.633	3	107.5910	2.666	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]CS)(CHHS)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]CS)(CHHS)(H)2	H(CCHP)	H(CCHP)	109.4690	0.016	2	109.4690	0.000	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[6]2)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]C[6]2)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.5170	0.000	1	107.5170	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[6]Ag)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]C[6]Ag)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.2280	0.000	1	107.2280	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[6]B)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]C[6]B)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.5870	0.000	1	107.5870	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[6]Co)(CC3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]C[6]Co)(CC3)(H)2	H(CCHP)	H(CCHP)	101.1140	0.000	1	101.1140	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[6]I)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]C[6]I)(CHHP)(H)2	H(CCHP)	H(CCHP)	103.7060	0.000	1	103.7060	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[6]Ir)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]C[6]Ir)(CCHH)(H)2	H(CCHP)	H(CCHP)	103.7290	0.000	1	103.7290	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[6]Mo)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]C[6]Mo)(CHHP)(H)2	H(CCHP)	H(CCHP)	105.4605	3.925	2	105.4605	15.407	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[6]Ni)(CC3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]C[6]Ni)(CC3)(H)2	H(CCHP)	H(CCHP)	98.2484	0.000	1	98.2484	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[6]O)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]C[6]O)(CH3)(H)2	H(CCHP)	H(CCHP)	107.9680	0.000	1	107.9680	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[6]Os)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]C[6]Os)(CHHP)(H)2	H(CCHP)	H(CCHP)	103.7660	0.000	1	103.7660	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[6]Re)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]C[6]Re)(CHHN)(H)2	H(CCHP)	H(CCHP)	107.1380	0.000	1	107.1380	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[6]Rh)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]C[6]Rh)(CCHH)(H)2	H(CCHP)	H(CCHP)	110.3820	0.000	1	110.3820	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[6]Rh)(CHHS)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]C[6]Rh)(CHHS)(H)2	H(CCHP)	H(CCHP)	108.2965	0.032	2	108.2965	0.001	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]CoC)(CC[5]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]CoC)(CC[5]HH)(H)2	H(CCHP)	H(CCHP)	108.8230	0.000	1	108.8230	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]CoC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]CoC)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.3680	0.000	1	108.3680	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]CrC)(CC[5]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]CrC)(CC[5]HH)(H)2	H(CCHP)	H(CCHP)	108.4555	0.090	2	108.4555	0.008	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]CuC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]CuC)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.9567	0.256	4	107.9567	0.065	4	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]CuC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]CuC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.6272	0.322	5	107.6272	0.103	5	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]CuC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]CuC)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.9410	0.188	2	107.9410	0.035	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]Fe2)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]Fe2)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.7040	0.132	2	108.7040	0.017	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]FeC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]FeC)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.5870	0.328	4	107.5870	0.108	4	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]FeC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]FeC)(CH3)(H)2	H(CCHP)	H(CCHP)	106.4693	3.056	3	106.4693	9.339	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]FeC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]FeC)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.2341	0.411	25	108.2341	0.169	25	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]HH)(CBHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]HH)(CBHH)(H)2	H(CCHP)	H(CCHP)	108.3010	0.000	1	108.3010	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]HH)(CB[5]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]HH)(CB[5]HH)(H)2	H(CCHP)	H(CCHP)	107.6390	0.000	1	107.6390	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]HO)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]HO)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.0185	0.056	2	108.0185	0.003	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]IrC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]IrC)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.7909	0.798	7	107.7909	0.636	7	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]IrC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]IrC)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.8880	0.263	2	107.8880	0.069	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]MoC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]MoC)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.4175	0.011	2	107.4175	0.000	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]MoC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]MoC)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.0548	0.780	5	108.0548	0.609	5	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]MoC)(CHHS)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]MoC)(CHHS)(H)2	H(CCHP)	H(CCHP)	108.0727	0.179	7	108.0727	0.032	7	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]NP)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]NP)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.5953	0.206	3	107.5953	0.042	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]NiC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]NiC)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.2789	0.874	16	107.2789	0.764	16	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]NiC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]NiC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.6490	0.347	4	107.6490	0.121	4	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]NiC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]NiC)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.4107	0.408	40	108.4107	0.167	40	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]NiC)(CHHS)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]NiC)(CHHS)(H)2	H(CCHP)	H(CCHP)	108.1075	1.302	10	108.1075	1.696	10	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]OO)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]OO)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.6910	0.143	4	107.6910	0.020	4	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]OO)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]OO)(CH3)(H)2	H(CCHP)	H(CCHP)	107.4220	0.000	1	107.4220	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]OO)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]OO)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.9180	0.000	1	107.9180	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]OO)(CHHS)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]OO)(CHHS)(H)2	H(CCHP)	H(CCHP)	107.8320	0.000	1	107.8320	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]OS)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]OS)(CCHH)(H)2	H(CCHP)	H(CCHP)	109.4520	0.000	1	109.4520	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]PS)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]PS)(CH3)(H)2	H(CCHP)	H(CCHP)	108.0240	0.000	1	108.0240	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]PdC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]PdC)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.5555	0.223	11	107.5555	0.050	11	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]PdC)(CCHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]PdC)(CCHP)(H)2	H(CCHP)	H(CCHP)	107.9467	0.054	6	107.9467	0.003	6	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]PdC)(CC[6]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]PdC)(CC[6]HH)(H)2	H(CCHP)	H(CCHP)	107.7112	0.082	5	107.7112	0.007	5	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]PdC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]PdC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.7188	0.164	8	107.7188	0.027	8	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]PdC)(CHHO)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]PdC)(CHHO)(H)2	H(CCHP)	H(CCHP)	109.6208	3.455	4	109.6208	11.937	4	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]PdC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]PdC)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.5042	1.335	23	108.5042	1.782	23	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]PdC)(CHHS)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]PdC)(CHHS)(H)2	H(CCHP)	H(CCHP)	108.3258	0.216	6	108.3258	0.047	6	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]Pt2)(CCCH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]Pt2)(CCCH)(H)2	H(CCHP)	H(CCHP)	106.4750	0.494	2	106.4750	0.244	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]PtC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]PtC)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.5000	0.372	31	107.5000	0.139	31	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]PtC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]PtC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.7613	0.162	3	107.7613	0.026	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]PtC)(CHHO)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]PtC)(CHHO)(H)2	H(CCHP)	H(CCHP)	107.1470	0.000	1	107.1470	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]PtC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]PtC)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.3811	0.270	7	108.3811	0.073	7	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]PtC)(CHHS)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]PtC)(CHHS)(H)2	H(CCHP)	H(CCHP)	108.1754	0.223	13	108.1754	0.050	13	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]PtC)(CN[5]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]PtC)(CN[5]HH)(H)2	H(CCHP)	H(CCHP)	107.6990	0.000	1	107.6990	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]PtO)(CCCH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]PtO)(CCCH)(H)2	H(CCHP)	H(CCHP)	107.3200	0.000	1	107.3200	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]ReC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]ReC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.2580	0.316	6	107.2580	0.100	6	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]RhC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]RhC)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.8958	0.646	8	107.8958	0.417	8	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]RhC)(CC[5]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]RhC)(CC[5]HH)(H)2	H(CCHP)	H(CCHP)	108.1710	0.000	1	108.1710	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]RhC)(CC[6a]HN)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]RhC)(CC[6a]HN)(H)2	H(CCHP)	H(CCHP)	112.1990	0.000	1	112.1990	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]RhC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]RhC)(CH3)(H)2	H(CCHP)	H(CCHP)	108.8100	1.415	4	108.8100	2.003	4	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]RhC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]RhC)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.3119	0.682	9	108.3119	0.465	9	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]RuC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]RuC)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.0880	0.066	2	107.0880	0.004	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]RuC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]RuC)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.3965	1.713	2	108.3965	2.935	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]RuC)(CN[5]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]RuC)(CN[5]HH)(H)2	H(CCHP)	H(CCHP)	107.8239	0.215	11	107.8239	0.046	11	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]RuC)(CN[5a]HH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]RuC)(CN[5a]HH)(H)2	H(CCHP)	H(CCHP)	107.4225	0.105	2	107.4225	0.011	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]RuO)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]RuO)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.2830	0.000	1	107.2830	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]SS)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]SS)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.6290	0.000	1	107.6290	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PCdCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PCdCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.2743	1.491	3	107.2743	2.224	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PCoCC)(CCCH)(H)2	H(CCHP)	H(CCHP)	C(PCoCC)(CCCH)(H)2	H(CCHP)	H(CCHP)	107.2735	0.022	2	107.2735	0.000	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PCoCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PCoCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	106.9042	3.954	17	106.9042	15.632	17	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PCoCC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PCoCC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.6303	0.582	29	107.6303	0.338	29	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PCoCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PCoCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.2899	0.178	43	108.2899	0.032	43	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PCoCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PCoCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.3559	0.163	24	108.3559	0.026	24	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PCr2C)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PCr2C)(CH3)(H)2	H(CCHP)	H(CCHP)	107.5005	0.072	4	107.5005	0.005	4	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PCrCC)(CC3)(H)2	H(CCHP)	H(CCHP)	C(PCrCC)(CC3)(H)2	H(CCHP)	H(CCHP)	102.8664	5.336	6	102.8664	28.469	6	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PCrCC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PCrCC)(CH3)(H)2	H(CCHP)	H(CCHP)	108.4772	1.090	15	108.4772	1.188	15	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PCrCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PCrCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	107.9873	0.150	7	107.9873	0.022	7	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PCrCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PCrCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.0734	0.222	7	108.0734	0.049	7	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PCrCN)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PCrCN)(CH3)(H)2	H(CCHP)	H(CCHP)	99.8757	0.000	1	99.8757	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PCrCS)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PCrCS)(CH3)(H)2	H(CCHP)	H(CCHP)	107.6470	0.345	2	107.6470	0.119	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PCuCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PCuCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.4390	0.290	18	107.4390	0.084	18	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PCuCC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PCuCC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.5679	0.292	83	107.5679	0.085	83	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PCuCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PCuCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	107.9690	0.178	4	107.9690	0.032	4	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PCuCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PCuCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.4219	1.207	17	108.4219	1.456	17	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PCuCH)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PCuCH)(CH3)(H)2	H(CCHP)	H(CCHP)	108.5697	1.134	3	108.5697	1.286	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PFe2H)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PFe2H)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.5200	0.000	1	107.5200	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PFeCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PFeCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	106.8994	2.200	25	106.8994	4.839	25	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PFeCC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PFeCC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.4329	0.504	200	107.4329	0.254	200	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PFeCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PFeCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.4334	0.123	28	108.4334	0.015	28	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PFeCC)(CHHO)(H)2	H(CCHP)	H(CCHP)	C(PFeCC)(CHHO)(H)2	H(CCHP)	H(CCHP)	107.1950	0.023	2	107.1950	0.001	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PFeCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PFeCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.4272	0.867	123	108.4272	0.752	123	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PFeCN)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PFeCN)(CCHH)(H)2	H(CCHP)	H(CCHP)	101.3590	0.000	1	101.3590	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PFeCN)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PFeCN)(CH3)(H)2	H(CCHP)	H(CCHP)	101.3140	0.000	1	101.3140	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PGaCC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PGaCC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.7915	1.190	11	107.7915	1.417	11	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PGaCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PGaCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.0420	0.000	1	108.0420	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PGaCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PGaCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.8160	0.034	2	107.8160	0.001	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PGeCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PGeCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.9850	0.000	1	107.9850	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PGe[5]CC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PGe[5]CC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.6620	0.347	3	107.6620	0.120	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PHfCC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PHfCC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.3346	0.224	9	107.3346	0.050	9	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PIrCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PIrCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.4806	0.143	8	107.4806	0.021	8	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PIrCC)(CCHP)(H)2	H(CCHP)	H(CCHP)	C(PIrCC)(CCHP)(H)2	H(CCHP)	H(CCHP)	108.3930	0.000	1	108.3930	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PIrCC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PIrCC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.4071	0.257	33	107.4071	0.066	33	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PIrCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PIrCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.1758	0.095	18	108.1758	0.009	18	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PIrCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PIrCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.1896	1.058	9	107.1896	1.119	9	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PIrCO)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PIrCO)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.1655	0.433	2	107.1655	0.188	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PLiCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PLiCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.0980	0.202	2	108.0980	0.041	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PMnCC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PMnCC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.3670	0.242	8	107.3670	0.059	8	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PMnCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PMnCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.4285	0.079	11	108.4285	0.006	11	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PMnCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PMnCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.2914	0.201	28	108.2914	0.041	28	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PMo2C)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PMo2C)(CH3)(H)2	H(CCHP)	H(CCHP)	107.5090	0.382	2	107.5090	0.146	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PMoCC)(CC3)(H)2	H(CCHP)	H(CCHP)	C(PMoCC)(CC3)(H)2	H(CCHP)	H(CCHP)	106.0058	3.588	6	106.0058	12.877	6	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PMoCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PMoCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.8103	0.964	13	107.8103	0.928	13	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PMoCC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PMoCC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.4316	0.417	41	107.4316	0.174	41	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PMoCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PMoCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.2715	0.066	2	108.2715	0.004	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PMoCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PMoCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.1174	0.448	36	108.1174	0.201	36	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PMoCH)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PMoCH)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.6305	0.193	2	107.6305	0.037	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PMoSiC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PMoSiC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.4905	0.349	4	107.4905	0.122	4	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PN[4]CC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PN[4]CC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.4925	0.141	2	107.4925	0.020	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PN[5a]CO)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PN[5a]CO)(CH3)(H)2	H(CCHP)	H(CCHP)	107.8165	0.221	2	107.8165	0.049	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PN[6]CC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PN[6]CC)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.4872	0.228	4	107.4872	0.052	4	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PNb[5]CC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PNb[5]CC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.4495	0.230	2	107.4495	0.053	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PNb[5]CC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PNb[5]CC)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.3540	0.000	1	107.3540	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PNi2C)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PNi2C)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.2185	0.012	2	108.2185	0.000	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PNiCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PNiCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	108.0243	0.849	49	108.0243	0.721	49	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PNiCC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PNiCC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.6649	0.592	222	107.6649	0.351	222	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PNiCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PNiCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.4714	0.164	27	108.4714	0.027	27	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PNiCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PNiCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.9488	0.254	208	107.9488	0.065	208	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(POsCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(POsCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.6290	0.408	9	107.6290	0.166	9	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(POsCC)(CCHN)(H)2	H(CCHP)	H(CCHP)	C(POsCC)(CCHN)(H)2	H(CCHP)	H(CCHP)	108.5535	0.005	2	108.5535	0.000	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(POsCC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(POsCC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.4486	0.181	8	107.4486	0.033	8	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(POsCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(POsCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.1800	0.210	8	108.1800	0.044	8	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PPbCC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PPbCC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.7150	0.248	3	107.7150	0.062	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PPdCC)(CC3)(H)2	H(CCHP)	H(CCHP)	C(PPdCC)(CC3)(H)2	H(CCHP)	H(CCHP)	106.2865	0.673	11	106.2865	0.453	11	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PPdCC)(CCCH)(H)2	H(CCHP)	H(CCHP)	C(PPdCC)(CCCH)(H)2	H(CCHP)	H(CCHP)	106.7420	0.000	1	106.7420	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PPdCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PPdCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.4913	0.314	62	107.4913	0.099	62	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PPdCC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PPdCC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.8831	0.745	226	107.8831	0.554	226	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PPdCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PPdCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.3005	0.105	8	108.3005	0.011	8	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PPdCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PPdCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.1880	0.671	80	108.1880	0.451	80	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PPdCO)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PPdCO)(CH3)(H)2	H(CCHP)	H(CCHP)	109.4337	0.079	3	109.4337	0.006	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PPdNN)(CC3)(H)2	H(CCHP)	H(CCHP)	C(PPdNN)(CC3)(H)2	H(CCHP)	H(CCHP)	106.9280	0.000	1	106.9280	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PPdOO)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PPdOO)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.4970	0.000	1	108.4970	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PPtCC)(CCCO)(H)2	H(CCHP)	H(CCHP)	C(PPtCC)(CCCO)(H)2	H(CCHP)	H(CCHP)	107.8540	0.000	1	107.8540	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PPtCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PPtCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.6874	0.591	73	107.6874	0.350	73	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PPtCC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PPtCC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.6639	0.558	756	107.6639	0.311	756	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PPtCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PPtCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.1548	0.376	11	108.1548	0.141	11	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PPtCC)(CHHO)(H)2	H(CCHP)	H(CCHP)	C(PPtCC)(CHHO)(H)2	H(CCHP)	H(CCHP)	107.2830	0.000	1	107.2830	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PPtCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PPtCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.9454	0.354	177	107.9454	0.125	177	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PRe2C)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PRe2C)(CH3)(H)2	H(CCHP)	H(CCHP)	106.9432	1.356	5	106.9432	1.839	5	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PReCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PReCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.4491	0.257	10	107.4491	0.066	10	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PReCC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PReCC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.4863	0.625	85	107.4863	0.391	85	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PReCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PReCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.1969	0.126	8	108.1969	0.016	8	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PReCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PReCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.9537	0.408	14	107.9537	0.166	14	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PReCH)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PReCH)(CH3)(H)2	H(CCHP)	H(CCHP)	104.2225	11.636	3	104.2225	135.388	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PRhCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PRhCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.5497	0.357	12	107.5497	0.128	12	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PRhCC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PRhCC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.5806	0.499	161	107.5806	0.249	161	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PRhCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PRhCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.1385	0.070	2	108.1385	0.005	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PRhCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PRhCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.1401	0.305	54	108.1401	0.093	54	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PRhCO)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PRhCO)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.3060	0.000	1	107.3060	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PRhCP)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PRhCP)(CH3)(H)2	H(CCHP)	H(CCHP)	107.3837	0.328	8	107.3837	0.107	8	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PRhPP)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PRhPP)(CH3)(H)2	H(CCHP)	H(CCHP)	107.5570	0.000	1	107.5570	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PRhTaC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PRhTaC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.5773	0.224	3	107.5773	0.050	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PRu2C)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PRu2C)(CH3)(H)2	H(CCHP)	H(CCHP)	109.4725	0.018	2	109.4725	0.000	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PRu2P)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PRu2P)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.5115	0.103	2	107.5115	0.011	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PRuCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PRuCC)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.4368	0.308	28	107.4368	0.095	28	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PRuCC)(CCHP)(H)2	H(CCHP)	H(CCHP)	C(PRuCC)(CCHP)(H)2	H(CCHP)	H(CCHP)	108.5140	0.000	1	108.5140	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PRuCC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PRuCC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.4572	1.806	49	107.4572	3.263	49	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PRuCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PRuCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.1256	0.498	27	108.1256	0.248	27	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PRuCC)(CHHO)(H)2	H(CCHP)	H(CCHP)	C(PRuCC)(CHHO)(H)2	H(CCHP)	H(CCHP)	107.7612	0.430	6	107.7612	0.185	6	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PRuCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PRuCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.1048	0.837	161	108.1048	0.700	161	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PSbCC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PSbCC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.6761	0.159	19	107.6761	0.025	19	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PSbCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PSbCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.9820	0.086	2	107.9820	0.007	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PSeCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PSeCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	107.4987	0.209	3	107.4987	0.044	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PSnCC)(CCCO)(H)2	H(CCHP)	H(CCHP)	C(PSnCC)(CCCO)(H)2	H(CCHP)	H(CCHP)	107.7910	0.036	3	107.7910	0.001	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PSnCC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PSnCC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.5328	0.231	21	107.5328	0.053	21	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PSnCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PSnCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.0760	0.144	2	108.0760	0.021	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PTaCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PTaCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.1170	0.257	2	108.1170	0.066	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PThCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PThCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.1363	0.443	3	108.1363	0.196	3	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PTiCC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PTiCC)(CH3)(H)2	H(CCHP)	H(CCHP)	106.4962	1.616	13	106.4962	2.610	13	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PTiCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PTiCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.4425	0.040	2	108.4425	0.002	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PTiCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PTiCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.1132	0.126	4	108.1132	0.016	4	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PZrCC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PZrCC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.2615	0.076	2	107.2615	0.006	2	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:C-4:H-1:H-1:	C-4:	C-4:	C(PZrCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	C(PZrCC)(CHHN)(H)2	H(CCHP)	H(CCHP)	108.0380	0.000	1	108.0380	0.000	1	107.9041	0.867	7326	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:N-4:H-1:H-1:	C-4:	C-4:	C(PB[3x3,5,5,4x6]C[6a]2)(NFeCC)(H)2	H(CHNP)	H(CHNP)	C(PB[3x3,5,5,4x6]C[6a]2)(NFeCC)(H)2	H(CHNP)	H(CHNP)	107.8900	0.000	1	107.8900	0.000	1	108.6838	6.285	41	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:N-4:H-1:H-1:	C-4:	C-4:	C(PCCO)(NH3)(H)2	H(CHNP)	H(CHNP)	C(PCCO)(NH3)(H)2	H(CHNP)	H(CHNP)	108.7026	1.785	8	108.7026	3.185	8	108.6838	6.285	41	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:N-4:H-1:H-1:	C-4:	C-4:	C(PCOO)(NH3)(H)2	H(CHNP)	H(CHNP)	C(PCOO)(NH3)(H)2	H(CHNP)	H(CHNP)	110.6032	3.776	12	110.6032	14.260	12	108.6838	6.285	41	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:N-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Fe)(NCCH)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]2Fe)(NCCH)(H)2	H(CHNP)	H(CHNP)	107.2465	0.476	4	107.2465	0.226	4	108.6838	6.285	41	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:N-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]Fe2)(NCCH)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]Fe2)(NCCH)(H)2	H(CHNP)	H(CHNP)	107.7458	0.048	4	107.7458	0.002	4	108.6838	6.285	41	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:N-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]NiC)(NCCH)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]NiC)(NCCH)(H)2	H(CHNP)	H(CHNP)	107.4593	0.092	3	107.4593	0.008	3	108.6838	6.285	41	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:N-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]NiC)(NCHH)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]NiC)(NCHH)(H)2	H(CHNP)	H(CHNP)	107.9880	0.000	1	107.9880	0.000	1	108.6838	6.285	41	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:N-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]OO)(NCCH)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]OO)(NCCH)(H)2	H(CHNP)	H(CHNP)	107.6672	0.205	4	107.6672	0.042	4	108.6838	6.285	41	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:N-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]OO)(NCoCC)(H)2	H(CHNP)	H(CHNP)	C(PC[6a]OO)(NCoCC)(H)2	H(CHNP)	H(CHNP)	108.2540	0.000	1	108.2540	0.000	1	108.6838	6.285	41	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:N-4:H-1:H-1:	C-4:	C-4:	C(PFeCC)(NCCH)(H)2	H(CHNP)	H(CHNP)	C(PFeCC)(NCCH)(H)2	H(CHNP)	H(CHNP)	107.3423	0.226	3	107.3423	0.051	3	108.6838	6.285	41	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PAs[6a]CC)2(H)2	H(CHPP)	H(CHPP)	C(PAs[6a]CC)2(H)2	H(CHPP)	H(CHPP)	106.7350	0.000	1	106.7350	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PB[3x3,5,5,4x6]C[6a]2)(PC[6a]2Fe)(H)2	H(CHPP)	H(CHPP)	C(PB[3x3,5,5,4x6]C[6a]2)(PC[6a]2Fe)(H)2	H(CHPP)	H(CHPP)	108.4720	0.140	2	108.4720	0.020	2	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PBrCC)2(H)2	H(CHPP)	H(CHPP)	C(PBrCC)2(H)2	H(CHPP)	H(CHPP)	106.5450	0.000	1	106.5450	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC3)2(H)2	H(CHPP)	H(CHPP)	C(PC3)2(H)2	H(CHPP)	H(CHPP)	106.6080	0.000	1	106.6080	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PCCO)2(H)2	H(CHPP)	H(CHPP)	C(PCCO)2(H)2	H(CHPP)	H(CHPP)	106.6303	0.571	4	106.6303	0.326	4	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PCCP)(PCCW)(H)2	H(CHPP)	H(CHPP)	C(PCCP)(PCCW)(H)2	H(CHPP)	H(CHPP)	108.4030	0.000	1	108.4030	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PCCP)2(H)2	H(CHPP)	H(CHPP)	C(PCCP)2(H)2	H(CHPP)	H(CHPP)	106.7000	0.000	1	106.7000	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PCCW)2(H)2	H(CHPP)	H(CHPP)	C(PCCW)2(H)2	H(CHPP)	H(CHPP)	107.8610	0.144	2	107.8610	0.021	2	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PCOO)(PHOO)(H)2	H(CHPP)	H(CHPP)	C(PCOO)(PHOO)(H)2	H(CHPP)	H(CHPP)	107.3140	0.000	1	107.3140	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2Au)(PC[6]2Ni)(H)2	H(CHPP)	H(CHPP)	C(PC[6]2Au)(PC[6]2Ni)(H)2	H(CHPP)	H(CHPP)	107.1280	0.000	1	107.1280	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2Au)(PC[6]2Pt)(H)2	H(CHPP)	H(CHPP)	C(PC[6]2Au)(PC[6]2Pt)(H)2	H(CHPP)	H(CHPP)	108.8190	0.291	2	108.8190	0.085	2	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2Fe)2(H)2	H(CHPP)	H(CHPP)	C(PC[6]2Fe)2(H)2	H(CHPP)	H(CHPP)	107.4970	0.000	1	107.4970	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2Re)2(H)2	H(CHPP)	H(CHPP)	C(PC[6]2Re)2(H)2	H(CHPP)	H(CHPP)	108.3492	1.108	4	108.3492	1.228	4	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2Rh)(PRhCC)(H)2	H(CHPP)	H(CHPP)	C(PC[6]2Rh)(PRhCC)(H)2	H(CHPP)	H(CHPP)	110.5310	0.218	2	110.5310	0.047	2	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ag)(PC[6a]2Pt)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Ag)(PC[6a]2Pt)(H)2	H(CHPP)	H(CHPP)	107.8550	0.000	2	107.8550	0.000	2	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ag)(PC[6a]PtC)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Ag)(PC[6a]PtC)(H)2	H(CHPP)	H(CHPP)	107.6987	0.202	4	107.6987	0.041	4	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ag)(PPtCC)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Ag)(PPtCC)(H)2	H(CHPP)	H(CHPP)	107.0857	0.252	3	107.0857	0.064	3	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ag)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Ag)2(H)2	H(CHPP)	H(CHPP)	107.8682	0.716	14	107.8682	0.513	14	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Au)(PAuCC)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Au)(PAuCC)(H)2	H(CHPP)	H(CHPP)	107.6190	0.000	1	107.6190	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Au)(PC[6a]AuC)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Au)(PC[6a]AuC)(H)2	H(CHPP)	H(CHPP)	107.9029	0.143	8	107.9029	0.020	8	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Au)(PC[6a]PtC)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Au)(PC[6a]PtC)(H)2	H(CHPP)	H(CHPP)	107.6782	0.160	6	107.6782	0.026	6	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Au)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Au)2(H)2	H(CHPP)	H(CHPP)	106.8102	1.816	8	106.8102	3.297	8	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2B)(PC[6a]2O)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2B)(PC[6a]2O)(H)2	H(CHPP)	H(CHPP)	107.5160	0.000	1	107.5160	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2B)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2B)2(H)2	H(CHPP)	H(CHPP)	106.3010	0.000	1	106.3010	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Br)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Br)2(H)2	H(CHPP)	H(CHPP)	106.9690	0.000	1	106.9690	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Co)(PC[6a]2O)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Co)(PC[6a]2O)(H)2	H(CHPP)	H(CHPP)	106.7330	0.000	1	106.7330	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Co)(PC[6a]2Ru)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Co)(PC[6a]2Ru)(H)2	H(CHPP)	H(CHPP)	107.6440	0.000	1	107.6440	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Co)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Co)2(H)2	H(CHPP)	H(CHPP)	108.7485	2.040	32	108.7485	4.162	32	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cr)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Cr)2(H)2	H(CHPP)	H(CHPP)	109.9380	0.045	2	109.9380	0.002	2	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cu)(PC[6a]2S)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Cu)(PC[6a]2S)(H)2	H(CHPP)	H(CHPP)	108.0420	0.000	1	108.0420	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cu)(PC[6a]CuC)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Cu)(PC[6a]CuC)(H)2	H(CHPP)	H(CHPP)	108.0266	0.534	12	108.0266	0.286	12	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cu)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Cu)2(H)2	H(CHPP)	H(CHPP)	107.8146	0.400	63	107.8146	0.160	63	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Fe)(PC[6a]2N)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Fe)(PC[6a]2N)(H)2	H(CHPP)	H(CHPP)	108.1540	0.179	4	108.1540	0.032	4	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Fe)(PC[6a]2Pd)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Fe)(PC[6a]2Pd)(H)2	H(CHPP)	H(CHPP)	106.7810	0.000	1	106.7810	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Fe)(PC[6a]2Pt)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Fe)(PC[6a]2Pt)(H)2	H(CHPP)	H(CHPP)	107.8898	0.513	6	107.8898	0.263	6	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Fe)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Fe)2(H)2	H(CHPP)	H(CHPP)	108.8870	2.182	7	108.8870	4.759	7	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)(PC[6a]2B)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Ir)(PC[6a]2B)(H)2	H(CHPP)	H(CHPP)	108.6432	0.247	4	108.6432	0.061	4	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)(PC[6a]2C)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Ir)(PC[6a]2C)(H)2	H(CHPP)	H(CHPP)	108.4878	0.279	5	108.4878	0.078	5	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)(PC[6a]2Pt)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Ir)(PC[6a]2Pt)(H)2	H(CHPP)	H(CHPP)	108.1150	0.000	1	108.1150	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)(PC[6a]2Rh)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Ir)(PC[6a]2Rh)(H)2	H(CHPP)	H(CHPP)	107.7685	0.247	2	107.7685	0.061	2	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)(PC[6a]2Ru)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Ir)(PC[6a]2Ru)(H)2	H(CHPP)	H(CHPP)	108.0218	0.227	6	108.0218	0.052	6	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)(PC[6a]2S)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Ir)(PC[6a]2S)(H)2	H(CHPP)	H(CHPP)	107.8690	0.000	1	107.8690	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)(PC[6a]IrC)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Ir)(PC[6a]IrC)(H)2	H(CHPP)	H(CHPP)	108.3645	1.548	4	108.3645	2.397	4	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)(PC[6a]PdC)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Ir)(PC[6a]PdC)(H)2	H(CHPP)	H(CHPP)	108.7010	0.000	1	108.7010	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Ir)2(H)2	H(CHPP)	H(CHPP)	108.4537	1.918	24	108.4537	3.679	24	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Mn)(PC[6a]2C)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Mn)(PC[6a]2C)(H)2	H(CHPP)	H(CHPP)	108.4370	0.000	1	108.4370	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Mn)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Mn)2(H)2	H(CHPP)	H(CHPP)	110.1482	0.406	18	110.1482	0.165	18	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Mo)(PC[6a]2Ru)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Mo)(PC[6a]2Ru)(H)2	H(CHPP)	H(CHPP)	108.4640	0.000	1	108.4640	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Mo)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Mo)2(H)2	H(CHPP)	H(CHPP)	109.6776	1.025	10	109.6776	1.051	10	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2N)(PC[6a]2S)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2N)(PC[6a]2S)(H)2	H(CHPP)	H(CHPP)	107.0285	0.281	2	107.0285	0.079	2	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2N)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2N)2(H)2	H(CHPP)	H(CHPP)	107.7718	1.866	6	107.7718	3.483	6	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ni)(PC[6a]2C)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Ni)(PC[6a]2C)(H)2	H(CHPP)	H(CHPP)	108.9394	0.190	5	108.9394	0.036	5	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ni)(PC[6a]2N)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Ni)(PC[6a]2N)(H)2	H(CHPP)	H(CHPP)	108.6612	0.391	4	108.6612	0.153	4	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ni)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Ni)2(H)2	H(CHPP)	H(CHPP)	109.5473	1.002	6	109.5473	1.005	6	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2O)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2O)2(H)2	H(CHPP)	H(CHPP)	107.6094	0.239	9	107.6094	0.057	9	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Os)(PC[6a]2Rh)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Os)(PC[6a]2Rh)(H)2	H(CHPP)	H(CHPP)	107.5362	0.451	4	107.5362	0.204	4	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Os)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Os)2(H)2	H(CHPP)	H(CHPP)	109.6253	1.039	19	109.6253	1.079	19	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(PC[6a]2C)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Pd)(PC[6a]2C)(H)2	H(CHPP)	H(CHPP)	108.6180	0.091	2	108.6180	0.008	2	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(PC[6a]2N)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Pd)(PC[6a]2N)(H)2	H(CHPP)	H(CHPP)	106.7790	0.091	2	106.7790	0.008	2	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(PC[6a]2Ru)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Pd)(PC[6a]2Ru)(H)2	H(CHPP)	H(CHPP)	106.7915	0.234	2	106.7915	0.055	2	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(PC[6a]2S)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Pd)(PC[6a]2S)(H)2	H(CHPP)	H(CHPP)	108.2120	0.000	1	108.2120	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(PC[6a]IrC)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Pd)(PC[6a]IrC)(H)2	H(CHPP)	H(CHPP)	108.2920	1.703	2	108.2920	2.899	2	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(PC[6a]PdC)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Pd)(PC[6a]PdC)(H)2	H(CHPP)	H(CHPP)	109.4440	0.949	5	109.4440	0.901	5	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(PC[6a]RhC)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Pd)(PC[6a]RhC)(H)2	H(CHPP)	H(CHPP)	107.4200	0.518	2	107.4200	0.268	2	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)(PN[5a]2Pd)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Pd)(PN[5a]2Pd)(H)2	H(CHPP)	H(CHPP)	107.4540	0.297	3	107.4540	0.088	3	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pd)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Pd)2(H)2	H(CHPP)	H(CHPP)	108.8756	1.282	22	108.8756	1.644	22	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(PC[6a]2O)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Pt)(PC[6a]2O)(H)2	H(CHPP)	H(CHPP)	108.7775	0.012	2	108.7775	0.000	2	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(PC[6a]2Rh)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Pt)(PC[6a]2Rh)(H)2	H(CHPP)	H(CHPP)	108.2585	0.286	2	108.2585	0.082	2	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(PC[6a]2Ru)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Pt)(PC[6a]2Ru)(H)2	H(CHPP)	H(CHPP)	106.7090	0.000	1	106.7090	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(PC[6a]AuC)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Pt)(PC[6a]AuC)(H)2	H(CHPP)	H(CHPP)	107.8903	0.255	4	107.8903	0.065	4	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(PC[6a]PtC)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Pt)(PC[6a]PtC)(H)2	H(CHPP)	H(CHPP)	108.3310	0.092	2	108.3310	0.008	2	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(PN[5a]2Pt)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Pt)(PN[5a]2Pt)(H)2	H(CHPP)	H(CHPP)	110.6430	0.000	1	110.6430	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(PPtCC)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Pt)(PPtCC)(H)2	H(CHPP)	H(CHPP)	108.4210	0.252	3	108.4210	0.064	3	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Pt)2(H)2	H(CHPP)	H(CHPP)	108.2523	1.464	38	108.2523	2.143	38	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Re)(PReCC)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Re)(PReCC)(H)2	H(CHPP)	H(CHPP)	110.2955	0.070	2	110.2955	0.005	2	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Re)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Re)2(H)2	H(CHPP)	H(CHPP)	108.3684	0.908	29	108.3684	0.824	29	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Rh)(PC[6a]2B)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Rh)(PC[6a]2B)(H)2	H(CHPP)	H(CHPP)	108.9613	1.443	3	108.9613	2.084	3	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Rh)(PC[6a]2N)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Rh)(PC[6a]2N)(H)2	H(CHPP)	H(CHPP)	108.3265	0.050	4	108.3265	0.002	4	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Rh)(PC[6a]2O)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Rh)(PC[6a]2O)(H)2	H(CHPP)	H(CHPP)	107.7000	0.000	1	107.7000	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Rh)(PC[6a]2Ru)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Rh)(PC[6a]2Ru)(H)2	H(CHPP)	H(CHPP)	107.7920	0.945	3	107.7920	0.893	3	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Rh)(PC[6a]NiC)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Rh)(PC[6a]NiC)(H)2	H(CHPP)	H(CHPP)	107.5275	0.060	2	107.5275	0.004	2	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Rh)(PC[6a]PdC)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Rh)(PC[6a]PdC)(H)2	H(CHPP)	H(CHPP)	106.9653	0.704	3	106.9653	0.495	3	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Rh)(PC[6a]PtC)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Rh)(PC[6a]PtC)(H)2	H(CHPP)	H(CHPP)	107.3830	0.161	2	107.3830	0.026	2	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Rh)(PC[6a]RhC)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Rh)(PC[6a]RhC)(H)2	H(CHPP)	H(CHPP)	108.1702	0.370	8	108.1702	0.137	8	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Rh)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Rh)2(H)2	H(CHPP)	H(CHPP)	107.7177	0.738	12	107.7177	0.545	12	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(PC[6a]2N)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Ru)(PC[6a]2N)(H)2	H(CHPP)	H(CHPP)	107.4302	0.789	6	107.4302	0.623	6	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(PC[6a]2W)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Ru)(PC[6a]2W)(H)2	H(CHPP)	H(CHPP)	108.5470	0.000	1	108.5470	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(PN[5a]2Ru)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Ru)(PN[5a]2Ru)(H)2	H(CHPP)	H(CHPP)	107.0270	0.000	1	107.0270	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Ru)2(H)2	H(CHPP)	H(CHPP)	109.1392	1.291	49	109.1392	1.666	49	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2S)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2S)2(H)2	H(CHPP)	H(CHPP)	109.7105	3.194	2	109.7105	10.202	2	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Se)(PC[6a]2N)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Se)(PC[6a]2N)(H)2	H(CHPP)	H(CHPP)	106.6260	0.000	1	106.6260	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Se)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2Se)2(H)2	H(CHPP)	H(CHPP)	107.0227	0.336	3	107.0227	0.113	3	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]3)(PO3)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]3)(PO3)(H)2	H(CHPP)	H(CHPP)	106.8620	0.000	1	106.8620	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]BH)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]BH)2(H)2	H(CHPP)	H(CHPP)	107.8280	0.000	1	107.8280	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[6]Ag)(PC[6a]PtC)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]C[6]Ag)(PC[6a]PtC)(H)2	H(CHPP)	H(CHPP)	107.6090	0.035	2	107.6090	0.001	2	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[6]Ru)(PC[6a]2Ru)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]C[6]Ru)(PC[6a]2Ru)(H)2	H(CHPP)	H(CHPP)	109.6940	0.000	1	109.6940	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]C[6]Ru)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]C[6]Ru)2(H)2	H(CHPP)	H(CHPP)	110.9660	0.000	1	110.9660	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]CuC)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]CuC)2(H)2	H(CHPP)	H(CHPP)	108.7710	0.000	1	108.7710	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]FeC)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]FeC)2(H)2	H(CHPP)	H(CHPP)	110.5273	0.159	3	110.5273	0.025	3	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]IrC)(PC[6a]PdC)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]IrC)(PC[6a]PdC)(H)2	H(CHPP)	H(CHPP)	107.6120	0.564	2	107.6120	0.318	2	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]PdC)(PC[6a]2O)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]PdC)(PC[6a]2O)(H)2	H(CHPP)	H(CHPP)	107.8180	0.000	1	107.8180	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]PdC)(PC[6a]RhC)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]PdC)(PC[6a]RhC)(H)2	H(CHPP)	H(CHPP)	107.3975	0.988	2	107.3975	0.976	2	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]RhC)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]RhC)2(H)2	H(CHPP)	H(CHPP)	108.1058	2.065	4	108.1058	4.264	4	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PCoCC)2(H)2	H(CHPP)	H(CHPP)	C(PCoCC)2(H)2	H(CHPP)	H(CHPP)	108.3270	0.000	1	108.3270	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PCuCC)2(H)2	H(CHPP)	H(CHPP)	C(PCuCC)2(H)2	H(CHPP)	H(CHPP)	107.3010	0.000	1	107.3010	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PFFO)2(H)2	H(CHPP)	H(CHPP)	C(PFFO)2(H)2	H(CHPP)	H(CHPP)	107.9520	0.071	2	107.9520	0.005	2	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PFeCC)2(H)2	H(CHPP)	H(CHPP)	C(PFeCC)2(H)2	H(CHPP)	H(CHPP)	110.4317	0.086	3	110.4317	0.007	3	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PIrCC)(PCCO)(H)2	H(CHPP)	H(CHPP)	C(PIrCC)(PCCO)(H)2	H(CHPP)	H(CHPP)	106.9800	0.000	1	106.9800	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PIrCC)2(H)2	H(CHPP)	H(CHPP)	C(PIrCC)2(H)2	H(CHPP)	H(CHPP)	108.9347	1.499	7	108.9347	2.246	7	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PMoCC)(PCCP)(H)2	H(CHPP)	H(CHPP)	C(PMoCC)(PCCP)(H)2	H(CHPP)	H(CHPP)	108.3250	0.000	1	108.3250	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PMoCC)2(H)2	H(CHPP)	H(CHPP)	C(PMoCC)2(H)2	H(CHPP)	H(CHPP)	109.4912	1.428	5	109.4912	2.038	5	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PNiCC)2(H)2	H(CHPP)	H(CHPP)	C(PNiCC)2(H)2	H(CHPP)	H(CHPP)	107.1744	2.570	7	107.1744	6.606	7	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PO3)2(H)2	H(CHPP)	H(CHPP)	C(PO3)2(H)2	H(CHPP)	H(CHPP)	107.3553	0.108	3	107.3553	0.012	3	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PPdCC)2(H)2	H(CHPP)	H(CHPP)	C(PPdCC)2(H)2	H(CHPP)	H(CHPP)	108.1817	1.004	19	108.1817	1.007	19	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PPtCC)(PPtOO)(H)2	H(CHPP)	H(CHPP)	C(PPtCC)(PPtOO)(H)2	H(CHPP)	H(CHPP)	110.5140	0.000	1	110.5140	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PPtCC)2(H)2	H(CHPP)	H(CHPP)	C(PPtCC)2(H)2	H(CHPP)	H(CHPP)	107.7219	0.515	14	107.7219	0.266	14	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PReCC)2(H)2	H(CHPP)	H(CHPP)	C(PReCC)2(H)2	H(CHPP)	H(CHPP)	109.1810	0.000	1	109.1810	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PRhCC)2(H)2	H(CHPP)	H(CHPP)	C(PRhCC)2(H)2	H(CHPP)	H(CHPP)	109.3116	1.027	12	109.3116	1.055	12	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PRuCC)(PCCO)(H)2	H(CHPP)	H(CHPP)	C(PRuCC)(PCCO)(H)2	H(CHPP)	H(CHPP)	105.7350	0.000	1	105.7350	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:P-4:H-1:H-1:	C-4:	C-4:	C(PSeCC)2(H)2	H(CHPP)	H(CHPP)	C(PSeCC)2(H)2	H(CHPP)	H(CHPP)	106.9540	0.000	1	106.9540	0.000	1	108.3661	1.779	661	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:S-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2N)(SC[6a]OO)(H)2	H(CHPS)	H(CHPS)	C(PC[6a]2N)(SC[6a]OO)(H)2	H(CHPS)	H(CHPS)	113.9990	0.000	1	113.9990	0.000	1	109.3303	9.897	4	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:S-4:H-1:H-1:	C-4:	C-4:	C(PLiCC)(SLiNN)(H)2	H(CHPS)	H(CHPS)	C(PLiCC)(SLiNN)(H)2	H(CHPS)	H(CHPS)	107.4520	0.079	2	107.4520	0.006	2	109.3303	9.897	4	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:S-4:H-1:H-1:	C-4:	C-4:	C(PMgCC)(SMgNN)(H)2	H(CHPS)	H(CHPS)	C(PMgCC)(SMgNN)(H)2	H(CHPS)	H(CHPS)	108.4180	0.000	1	108.4180	0.000	1	109.3303	9.897	4	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PBCC)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	C(PBCC)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	106.8243	0.206	4	106.8243	0.042	4	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PCCV)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	C(PCCV)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	108.9007	0.274	3	108.9007	0.075	3	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PC[6]2Re)(SiCCO)(H)2	H(CSiHP)	H(CSiHP)	C(PC[6]2Re)(SiCCO)(H)2	H(CSiHP)	H(CSiHP)	105.1310	0.068	2	105.1310	0.005	2	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PC[6]RuC)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	C(PC[6]RuC)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	106.7560	0.518	3	106.7560	0.268	3	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Au)(SiSiCC)(H)2	H(CSiHP)	H(CSiHP)	C(PC[6a]2Au)(SiSiCC)(H)2	H(CSiHP)	H(CSiHP)	107.4768	0.139	4	107.4768	0.019	4	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2B)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	C(PC[6a]2B)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	106.7300	0.000	1	106.7300	0.000	1	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Co)(SiC[6a]CC)(H)2	H(CSiHP)	H(CSiHP)	C(PC[6a]2Co)(SiC[6a]CC)(H)2	H(CSiHP)	H(CSiHP)	106.8860	0.314	2	106.8860	0.099	2	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Cu)(SiC[6a]CC)(H)2	H(CSiHP)	H(CSiHP)	C(PC[6a]2Cu)(SiC[6a]CC)(H)2	H(CSiHP)	H(CSiHP)	107.8245	0.144	2	107.8245	0.021	2	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Fe)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	C(PC[6a]2Fe)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	106.8957	0.198	6	106.8957	0.039	6	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Fe)(SiC[6a]2C)(H)2	H(CSiHP)	H(CSiHP)	C(PC[6a]2Fe)(SiC[6a]2C)(H)2	H(CSiHP)	H(CSiHP)	107.5125	0.248	2	107.5125	0.062	2	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ir)(SiCCN)(H)2	H(CSiHP)	H(CSiHP)	C(PC[6a]2Ir)(SiCCN)(H)2	H(CSiHP)	H(CSiHP)	109.3970	0.000	1	109.3970	0.000	1	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ni)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	C(PC[6a]2Ni)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	107.9020	0.120	3	107.9020	0.014	3	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ni)(SiCCN)(H)2	H(CSiHP)	H(CSiHP)	C(PC[6a]2Ni)(SiCCN)(H)2	H(CSiHP)	H(CSiHP)	106.0500	0.013	2	106.0500	0.000	2	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ni)(SiC[6a]2N)(H)2	H(CSiHP)	H(CSiHP)	C(PC[6a]2Ni)(SiC[6a]2N)(H)2	H(CSiHP)	H(CSiHP)	106.5325	0.075	4	106.5325	0.006	4	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	C(PC[6a]2Pt)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	107.1780	0.000	1	107.1780	0.000	1	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Pt)(SiC[6a]2C)(H)2	H(CSiHP)	H(CSiHP)	C(PC[6a]2Pt)(SiC[6a]2C)(H)2	H(CSiHP)	H(CSiHP)	107.2560	0.129	2	107.2560	0.017	2	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2Ru)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	C(PC[6a]2Ru)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	106.9340	0.369	3	106.9340	0.136	3	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2S)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	C(PC[6a]2S)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	106.9400	0.000	1	106.9400	0.000	1	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2W)(SiCCN)(H)2	H(CSiHP)	H(CSiHP)	C(PC[6a]2W)(SiCCN)(H)2	H(CSiHP)	H(CSiHP)	106.7250	0.006	2	106.7250	0.000	2	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]BC)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	C(PC[6a]BC)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	106.8575	0.206	2	106.8575	0.042	2	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]RhC)(SiCCN)(H)2	H(CSiHP)	H(CSiHP)	C(PC[6a]RhC)(SiCCN)(H)2	H(CSiHP)	H(CSiHP)	106.2150	0.194	2	106.2150	0.038	2	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PCoCC)(SiCCN)(H)2	H(CSiHP)	H(CSiHP)	C(PCoCC)(SiCCN)(H)2	H(CSiHP)	H(CSiHP)	107.9412	0.440	9	107.9412	0.194	9	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PCoPP)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	C(PCoPP)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	107.2820	0.000	1	107.2820	0.000	1	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PFeCC)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	C(PFeCC)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	107.8644	0.097	5	107.8644	0.009	5	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PIrCC)(SiCCN)(H)2	H(CSiHP)	H(CSiHP)	C(PIrCC)(SiCCN)(H)2	H(CSiHP)	H(CSiHP)	107.3340	0.185	3	107.3340	0.034	3	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PMoCC)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	C(PMoCC)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	107.6770	0.046	3	107.6770	0.002	3	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PNiCC)(SiCCN)(H)2	H(CSiHP)	H(CSiHP)	C(PNiCC)(SiCCN)(H)2	H(CSiHP)	H(CSiHP)	108.1975	0.070	2	108.1975	0.005	2	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PNiCC)(SiCCO)(H)2	H(CSiHP)	H(CSiHP)	C(PNiCC)(SiCCO)(H)2	H(CSiHP)	H(CSiHP)	106.4955	0.729	2	106.4955	0.531	2	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(POsCC)(SiCCN)(H)2	H(CSiHP)	H(CSiHP)	C(POsCC)(SiCCN)(H)2	H(CSiHP)	H(CSiHP)	107.8473	0.174	3	107.8473	0.030	3	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PPdCC)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	C(PPdCC)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	106.3515	0.218	2	106.3515	0.048	2	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PRhCC)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	C(PRhCC)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	107.6475	0.093	2	107.6475	0.009	2	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PRuCC)(SiCCN)(H)2	H(CSiHP)	H(CSiHP)	C(PRuCC)(SiCCN)(H)2	H(CSiHP)	H(CSiHP)	107.8690	0.055	2	107.8690	0.003	2	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:	C(PTaCC)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	C(PTaCC)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	109.4705	0.045	2	109.4705	0.002	2	107.3416	0.709	88	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[3]C[3]P[3]C)(CC3)(H)2	H(CP[3]CH)	H(CP[3]CH)	C(P[3]C[3]P[3]C)(CC3)(H)2	H(CP[3]CH)	H(CP[3]CH)	106.0500	0.000	1	106.0500	0.000	1	106.0500	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[4,4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[4,4]P[3,4,4]2Cl)(CH3)(H)2	H(CP[4,4]CH)	H(CP[4,4]CH)	C(P[4,4]P[3,4,4]2Cl)(CH3)(H)2	H(CP[4,4]CH)	H(CP[4,4]CH)	107.8310	0.000	1	107.8310	0.000	1	107.8310	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[4]B[4]2C)(CH3)(H)2	H(CP[4]CH)	H(CP[4]CH)	C(P[4]B[4]2C)(CH3)(H)2	H(CP[4]CH)	H(CP[4]CH)	107.5955	0.081	4	107.5955	0.007	4	107.6174	0.060	18	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[4]C[4]2B)(CCHH)(H)2	H(CP[4]CH)	H(CP[4]CH)	C(P[4]C[4]2B)(CCHH)(H)2	H(CP[4]CH)	H(CP[4]CH)	107.5170	0.000	1	107.5170	0.000	1	107.6174	0.060	18	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[4]C[4]2Ru)(CCHH)(H)2	H(CP[4]CH)	H(CP[4]CH)	C(P[4]C[4]2Ru)(CCHH)(H)2	H(CP[4]CH)	H(CP[4]CH)	107.7320	0.000	1	107.7320	0.000	1	107.6174	0.060	18	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[4]In[4]2C)(CH3)(H)2	H(CP[4]CH)	H(CP[4]CH)	C(P[4]In[4]2C)(CH3)(H)2	H(CP[4]CH)	H(CP[4]CH)	107.3630	0.105	2	107.3630	0.011	2	107.6174	0.060	18	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[4]N[4]2N)(CCHH)(H)2	H(CP[4]CH)	H(CP[4]CH)	C(P[4]N[4]2N)(CCHH)(H)2	H(CP[4]CH)	H(CP[4]CH)	107.5625	0.112	2	107.5625	0.013	2	107.6174	0.060	18	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[4]N[4]2Ni)(CP[4]HH)(H)2	H(CP[4]CH)	H(CP[4]CH)	C(P[4]N[4]2Ni)(CP[4]HH)(H)2	H(CP[4]CH)	H(CP[4]CH)	107.8730	0.050	4	107.8730	0.002	4	107.6174	0.060	18	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[4]N[4]2Rh)(CP[4]HH)(H)2	H(CP[4]CH)	H(CP[4]CH)	C(P[4]N[4]2Rh)(CP[4]HH)(H)2	H(CP[4]CH)	H(CP[4]CH)	107.8795	0.162	2	107.8795	0.026	2	107.6174	0.060	18	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[4]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[4]S[4]2C)(CCCH)(H)2	H(CP[4]CH)	H(CP[4]CH)	C(P[4]S[4]2C)(CCCH)(H)2	H(CP[4]CH)	H(CP[4]CH)	107.1900	0.157	2	107.1900	0.025	2	107.6174	0.060	18	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5,5]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(P[5,5]P[5,5]P[5]2)(SiC3)(H)2	H(CP[5,5]SiH)	H(CP[5,5]SiH)	C(P[5,5]P[5,5]P[5]2)(SiC3)(H)2	H(CP[5,5]SiH)	H(CP[5,5]SiH)	106.9490	0.000	1	106.9490	0.000	1	106.9490	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6]C[5]Pd)(CCHH)(H)2	H(CP[5]CH)	H(CP[5]CH)	C(P[5]C[5,6]C[5]Pd)(CCHH)(H)2	H(CP[5]CH)	H(CP[5]CH)	107.6223	0.166	3	107.6223	0.027	3	108.0044	0.356	97	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6a]2B)(CCHH)(H)2	H(CP[5]CH)	H(CP[5]CH)	C(P[5]C[5,6a]2B)(CCHH)(H)2	H(CP[5]CH)	H(CP[5]CH)	109.6610	0.000	1	109.6610	0.000	1	108.0044	0.356	97	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6a]2O)(CCHH)(H)2	H(CP[5]CH)	H(CP[5]CH)	C(P[5]C[5,6a]2O)(CCHH)(H)2	H(CP[5]CH)	H(CP[5]CH)	107.7600	0.000	1	107.7600	0.000	1	108.0044	0.356	97	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6a]C[6a]C[5])(CHHO)(H)2	H(CP[5]CH)	H(CP[5]CH)	C(P[5]C[5,6a]C[6a]C[5])(CHHO)(H)2	H(CP[5]CH)	H(CP[5]CH)	107.8260	0.127	2	107.8260	0.016	2	108.0044	0.356	97	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[5]C[5]2Au)(CCHH)(H)2	H(CP[5]CH)	H(CP[5]CH)	C(P[5]C[5]2Au)(CCHH)(H)2	H(CP[5]CH)	H(CP[5]CH)	107.8000	0.000	1	107.8000	0.000	1	108.0044	0.356	97	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[5]C[5]2Pd)(CCHH)(H)2	H(CP[5]CH)	H(CP[5]CH)	C(P[5]C[5]2Pd)(CCHH)(H)2	H(CP[5]CH)	H(CP[5]CH)	107.7320	0.000	1	107.7320	0.000	1	108.0044	0.356	97	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[5]C[5]2Pt)(CCHH)(H)2	H(CP[5]CH)	H(CP[5]CH)	C(P[5]C[5]2Pt)(CCHH)(H)2	H(CP[5]CH)	H(CP[5]CH)	107.4057	0.467	4	107.4057	0.218	4	108.0044	0.356	97	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[5]C[5]2Pt)(CP[5]HH)(H)2	H(CP[5]CH)	H(CP[5]CH)	C(P[5]C[5]2Pt)(CP[5]HH)(H)2	H(CP[5]CH)	H(CP[5]CH)	108.2362	0.436	24	108.2362	0.190	24	108.0044	0.356	97	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[5]C[5]2Rh)(CCHH)(H)2	H(CP[5]CH)	H(CP[5]CH)	C(P[5]C[5]2Rh)(CCHH)(H)2	H(CP[5]CH)	H(CP[5]CH)	107.1110	1.475	4	107.1110	2.176	4	108.0044	0.356	97	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[5]C[5]2Ru)(CP[5]HH)(H)2	H(CP[5]CH)	H(CP[5]CH)	C(P[5]C[5]2Ru)(CP[5]HH)(H)2	H(CP[5]CH)	H(CP[5]CH)	108.3431	0.368	13	108.3431	0.136	13	108.0044	0.356	97	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[5]C[5]2Se)(CCHH)(H)2	H(CP[5]CH)	H(CP[5]CH)	C(P[5]C[5]2Se)(CCHH)(H)2	H(CP[5]CH)	H(CP[5]CH)	107.5605	0.076	2	107.5605	0.006	2	108.0044	0.356	97	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[5]C[5]2W)(CP[5]HH)(H)2	H(CP[5]CH)	H(CP[5]CH)	C(P[5]C[5]2W)(CP[5]HH)(H)2	H(CP[5]CH)	H(CP[5]CH)	107.9959	0.202	7	107.9959	0.041	7	108.0044	0.356	97	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[5]C[5]P[5]C)(CH3)(H)2	H(CP[5]CH)	H(CP[5]CH)	C(P[5]C[5]P[5]C)(CH3)(H)2	H(CP[5]CH)	H(CP[5]CH)	107.7972	0.130	6	107.7972	0.017	6	108.0044	0.356	97	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[5]C[5x3,6x5,20x6]2Se)(CH3)(H)2	H(CP[5]CH)	H(CP[5]CH)	C(P[5]C[5x3,6x5,20x6]2Se)(CH3)(H)2	H(CP[5]CH)	H(CP[5]CH)	107.7160	0.000	1	107.7160	0.000	1	108.0044	0.356	97	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[5]C[6a]B[5]C[5])(CBHH)(H)2	H(CP[5]CH)	H(CP[5]CH)	C(P[5]C[6a]B[5]C[5])(CBHH)(H)2	H(CP[5]CH)	H(CP[5]CH)	107.6465	0.305	4	107.6465	0.093	4	108.0044	0.356	97	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[5]C[6a]B[5]C[5])(CCHH)(H)2	H(CP[5]CH)	H(CP[5]CH)	C(P[5]C[6a]B[5]C[5])(CCHH)(H)2	H(CP[5]CH)	H(CP[5]CH)	107.3570	0.000	1	107.3570	0.000	1	108.0044	0.356	97	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[5]Ge[5]C[5]C)(CH3)(H)2	H(CP[5]CH)	H(CP[5]CH)	C(P[5]Ge[5]C[5]C)(CH3)(H)2	H(CP[5]CH)	H(CP[5]CH)	107.7308	0.229	4	107.7308	0.052	4	108.0044	0.356	97	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[5]N[5,5]O[5]Pd)(CP[5]HH)(H)2	H(CP[5]CH)	H(CP[5]CH)	C(P[5]N[5,5]O[5]Pd)(CP[5]HH)(H)2	H(CP[5]CH)	H(CP[5]CH)	108.3527	0.301	6	108.3527	0.091	6	108.0044	0.356	97	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[5]N[5]O[5]O)(CH3)(H)2	H(CP[5]CH)	H(CP[5]CH)	C(P[5]N[5]O[5]O)(CH3)(H)2	H(CP[5]CH)	H(CP[5]CH)	109.1963	0.461	3	109.1963	0.213	3	108.0044	0.356	97	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[5]Nb[5]C[5]C)(CH3)(H)2	H(CP[5]CH)	H(CP[5]CH)	C(P[5]Nb[5]C[5]C)(CH3)(H)2	H(CP[5]CH)	H(CP[5]CH)	107.5028	0.028	4	107.5028	0.001	4	108.0044	0.356	97	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[5]P[5]2Sm)(CCHH)(H)2	H(CP[5]CH)	H(CP[5]CH)	C(P[5]P[5]2Sm)(CCHH)(H)2	H(CP[5]CH)	H(CP[5]CH)	107.8700	0.000	1	107.8700	0.000	1	108.0044	0.356	97	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[5]Si[5]C[5]C)(CH3)(H)2	H(CP[5]CH)	H(CP[5]CH)	C(P[5]Si[5]C[5]C)(CH3)(H)2	H(CP[5]CH)	H(CP[5]CH)	107.6780	0.139	4	107.6780	0.019	4	108.0044	0.356	97	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6a]C[5]B)(C[5]C[5]2Fe)(H)2	H(CC[5]P[5]H)	H(CC[5]P[5]H)	C(P[5]C[5,6a]C[5]B)(C[5]C[5]2Fe)(H)2	H(CC[5]P[5]H)	H(CC[5]P[5]H)	107.8410	0.000	1	107.8410	0.000	1	107.8410	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:P-4:H-1:H-1:	C-4:	C-4:	C(P[5]C[5,6a]2Ru)(PC[6a]2Ru)(H)2	H(CP[5]HP)	H(CP[5]HP)	C(P[5]C[5,6a]2Ru)(PC[6a]2Ru)(H)2	H(CP[5]HP)	H(CP[5]HP)	110.2490	0.000	1	110.2490	0.000	1	109.4827	1.559	3	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:P-4:H-1:H-1:	C-4:	C-4:	C(P[5]C[5]2Rh)(PC[6a]2B)(H)2	H(CP[5]HP)	H(CP[5]HP)	C(P[5]C[5]2Rh)(PC[6a]2B)(H)2	H(CP[5]HP)	H(CP[5]HP)	108.0420	0.000	1	108.0420	0.000	1	109.4827	1.559	3	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:P-4:H-1:H-1:	C-4:	C-4:	C(P[5]C[5]2Rh)(PRhCC)(H)2	H(CP[5]HP)	H(CP[5]HP)	C(P[5]C[5]2Rh)(PRhCC)(H)2	H(CP[5]HP)	H(CP[5]HP)	110.1570	0.000	1	110.1570	0.000	1	109.4827	1.559	3	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:P[5]-4:H-1:H-1:	C-4:	C-4:	C(P[5]C[5]2Rh)2(H)2	H(CP[5]2H)	H(CP[5]2H)	C(P[5]C[5]2Rh)2(H)2	H(CP[5]2H)	H(CP[5]2H)	110.7910	0.046	4	110.7910	0.002	4	110.1702	1.929	5	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[5]-4:P[5]-4:H-1:H-1:	C-4:	C-4:	C(P[5]S[5]2S)2(H)2	H(CP[5]2H)	H(CP[5]2H)	C(P[5]S[5]2S)2(H)2	H(CP[5]2H)	H(CP[5]2H)	107.6870	0.000	1	107.6870	0.000	1	110.1702	1.929	5	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[6,6]C[3x6]2Pd)(CCHH)(H)2	H(CP[6,6]CH)	H(CP[6,6]CH)	C(P[6,6]C[3x6]2Pd)(CCHH)(H)2	H(CP[6,6]CH)	H(CP[6,6]CH)	107.5105	0.039	2	107.5105	0.002	2	107.5057	0.171	10	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[6,6]C[6,6]2Co)(CCHH)(H)2	H(CP[6,6]CH)	H(CP[6,6]CH)	C(P[6,6]C[6,6]2Co)(CCHH)(H)2	H(CP[6,6]CH)	H(CP[6,6]CH)	107.2090	0.000	1	107.2090	0.000	1	107.5057	0.171	10	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[6,6]C[6,6]2Pd)(CCCH)(H)2	H(CP[6,6]CH)	H(CP[6,6]CH)	C(P[6,6]C[6,6]2Pd)(CCCH)(H)2	H(CP[6,6]CH)	H(CP[6,6]CH)	107.5550	0.000	1	107.5550	0.000	1	107.5057	0.171	10	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[6,6]C[6,6]2Pd)(CP[6,6]HH)(H)2	H(CP[6,6]CH)	H(CP[6,6]CH)	C(P[6,6]C[6,6]2Pd)(CP[6,6]HH)(H)2	H(CP[6,6]CH)	H(CP[6,6]CH)	108.5180	0.000	1	108.5180	0.000	1	107.5057	0.171	10	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[6,6]C[6,6]2Pt)(CCCH)(H)2	H(CP[6,6]CH)	H(CP[6,6]CH)	C(P[6,6]C[6,6]2Pt)(CCCH)(H)2	H(CP[6,6]CH)	H(CP[6,6]CH)	107.3880	0.000	1	107.3880	0.000	1	107.5057	0.171	10	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[6,6]C[6,6]2Ru)(CCCH)(H)2	H(CP[6,6]CH)	H(CP[6,6]CH)	C(P[6,6]C[6,6]2Ru)(CCCH)(H)2	H(CP[6,6]CH)	H(CP[6,6]CH)	107.1827	0.023	3	107.1827	0.001	3	107.5057	0.171	10	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[6,6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[6,6]C[6,6]2Se)(CCHH)(H)2	H(CP[6,6]CH)	H(CP[6,6]CH)	C(P[6,6]C[6,6]2Se)(CCHH)(H)2	H(CP[6,6]CH)	H(CP[6,6]CH)	107.8180	0.000	1	107.8180	0.000	1	107.5057	0.171	10	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[6]C[6,6]C[6]Se)(CCCH)(H)2	H(CP[6]CH)	H(CP[6]CH)	C(P[6]C[6,6]C[6]Se)(CCCH)(H)2	H(CP[6]CH)	H(CP[6]CH)	107.2800	0.000	1	107.2800	0.000	1	107.5903	0.052	10	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[6]C[6]2Mn)(CCHH)(H)2	H(CP[6]CH)	H(CP[6]CH)	C(P[6]C[6]2Mn)(CCHH)(H)2	H(CP[6]CH)	H(CP[6]CH)	107.4730	0.000	1	107.4730	0.000	1	107.5903	0.052	10	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[6]C[6]2Pt)(CCHH)(H)2	H(CP[6]CH)	H(CP[6]CH)	C(P[6]C[6]2Pt)(CCHH)(H)2	H(CP[6]CH)	H(CP[6]CH)	107.5645	0.129	2	107.5645	0.017	2	107.5903	0.052	10	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[6]C[6a]N[6]2)(CH3)(H)2	H(CP[6]CH)	H(CP[6]CH)	C(P[6]C[6a]N[6]2)(CH3)(H)2	H(CP[6]CH)	H(CP[6]CH)	107.7592	0.129	5	107.7592	0.017	5	107.5903	0.052	10	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(P[6]O[6]2O)(CCHH)(H)2	H(CP[6]CH)	H(CP[6]CH)	C(P[6]O[6]2O)(CCHH)(H)2	H(CP[6]CH)	H(CP[6]CH)	107.2250	0.000	1	107.2250	0.000	1	107.5903	0.052	10	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[6]-4:N-4:H-1:H-1:	C-4:	C-4:	C(P[6]C[6]2Pd)(NCHH)(H)2	H(CP[6]HN)	H(CP[6]HN)	C(P[6]C[6]2Pd)(NCHH)(H)2	H(CP[6]HN)	H(CP[6]HN)	107.4640	0.000	1	107.4640	0.000	1	107.4640	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	P[6]-4:P[6]-4:H-1:H-1:	C-4:	C-4:	C(P[6]O[6]2O)2(H)2	H(CP[6]2H)	H(CP[6]2H)	C(P[6]O[6]2O)2(H)2	H(CP[6]2H)	H(CP[6]2H)	107.4810	0.000	1	107.4810	0.000	1	107.4810	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SBeNN)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SBeNN)(CH3)(H)2	H(CCHS)	H(CCHS)	108.0240	0.000	1	108.0240	0.000	1	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SCOO)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SCOO)(CH3)(H)2	H(CCHS)	H(CCHS)	107.9590	0.364	4	107.9590	0.132	4	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5]RhO)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SC[5]RhO)(CHHS)(H)2	H(CCHS)	H(CCHS)	108.1330	0.233	2	108.1330	0.054	2	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5a]OO)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SC[5a]OO)(CCHH)(H)2	H(CCHS)	H(CCHS)	107.8447	0.248	3	107.8447	0.062	3	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5a]OO)(CC[5]HH)(H)2	H(CCHS)	H(CCHS)	C(SC[5a]OO)(CC[5]HH)(H)2	H(CCHS)	H(CCHS)	110.7745	1.447	2	110.7745	2.095	2	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5a]OO)(CC[6]HH)(H)2	H(CCHS)	H(CCHS)	C(SC[5a]OO)(CC[6]HH)(H)2	H(CCHS)	H(CCHS)	107.5930	0.000	1	107.5930	0.000	1	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5a]OO)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SC[5a]OO)(CH3)(H)2	H(CCHS)	H(CCHS)	109.7540	0.468	3	109.7540	0.219	3	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[5a]OO)(CSiHH)(H)2	H(CCHS)	H(CCHS)	C(SC[5a]OO)(CSiHH)(H)2	H(CCHS)	H(CCHS)	108.3520	0.000	1	108.3520	0.000	1	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6,6]OO)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SC[6,6]OO)(CCHH)(H)2	H(CCHS)	H(CCHS)	108.4200	0.000	1	108.4200	0.000	1	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6]OO)(CCHO)(H)2	H(CCHS)	H(CCHS)	C(SC[6]OO)(CCHO)(H)2	H(CCHS)	H(CCHS)	109.2500	2.273	7	109.2500	5.164	7	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6]OO)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SC[6]OO)(CH3)(H)2	H(CCHS)	H(CCHS)	107.9130	0.000	1	107.9130	0.000	1	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6]OO)(CHHO)(H)2	H(CCHS)	H(CCHS)	C(SC[6]OO)(CHHO)(H)2	H(CCHS)	H(CCHS)	110.0520	1.485	2	110.0520	2.205	2	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CC3)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CC3)(H)2	H(CCHS)	H(CCHS)	109.9510	0.000	1	109.9510	0.000	1	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CCCH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CCCH)(H)2	H(CCHS)	H(CCHS)	107.6062	0.215	6	107.6062	0.046	6	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CCCO)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CCCO)(H)2	H(CCHS)	H(CCHS)	107.9588	1.153	5	107.9588	1.329	5	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CCHH)(H)2	H(CCHS)	H(CCHS)	107.8091	0.203	7	107.8091	0.041	7	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CCHO)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CCHO)(H)2	H(CCHS)	H(CCHS)	107.6063	0.164	3	107.6063	0.027	3	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CC[5]CH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CC[5]CH)(H)2	H(CCHS)	H(CCHS)	107.7140	0.278	3	107.7140	0.077	3	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CC[5]HH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CC[5]HH)(H)2	H(CCHS)	H(CCHS)	109.4830	0.000	1	109.4830	0.000	1	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CC[6]HH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CC[6]HH)(H)2	H(CCHS)	H(CCHS)	108.1830	0.925	4	108.1830	0.855	4	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CFHH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CFHH)(H)2	H(CCHS)	H(CCHS)	107.5850	0.000	1	107.5850	0.000	1	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CH3)(H)2	H(CCHS)	H(CCHS)	107.9880	0.000	1	107.9880	0.000	1	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CHHN)(H)2	H(CCHS)	H(CCHS)	107.4150	0.000	1	107.4150	0.000	1	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CHHS)(H)2	H(CCHS)	H(CCHS)	109.3298	0.922	5	109.3298	0.850	5	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CN[5]CH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CN[5]CH)(H)2	H(CCHS)	H(CCHS)	107.5260	0.000	1	107.5260	0.000	1	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(CN[5]HH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]OO)(CN[5]HH)(H)2	H(CCHS)	H(CCHS)	107.8700	0.000	1	107.8700	0.000	1	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]PdO)(CC3)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]PdO)(CC3)(H)2	H(CCHS)	H(CCHS)	107.2200	0.000	1	107.2200	0.000	1	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]PdO)(CC[6a]HH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]PdO)(CC[6a]HH)(H)2	H(CCHS)	H(CCHS)	107.9650	0.052	2	107.9650	0.003	2	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]PtO)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]PtO)(CCHH)(H)2	H(CCHS)	H(CCHS)	107.6615	0.330	2	107.6615	0.109	2	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]PtO)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]PtO)(CHHS)(H)2	H(CCHS)	H(CCHS)	109.4980	0.000	1	109.4980	0.000	1	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]RuO)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]RuO)(CCHH)(H)2	H(CCHS)	H(CCHS)	107.8190	0.000	1	107.8190	0.000	1	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]RuO)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]RuO)(CH3)(H)2	H(CCHS)	H(CCHS)	108.0353	0.173	3	108.0353	0.030	3	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]RuO)(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]RuO)(CHHN)(H)2	H(CCHS)	H(CCHS)	108.3893	0.625	3	108.3893	0.390	3	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]RuO)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SC[6a]RuO)(CHHS)(H)2	H(CCHS)	H(CCHS)	108.6995	0.008	2	108.6995	0.000	2	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SFe2H)(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SFe2H)(CHHN)(H)2	H(CCHS)	H(CCHS)	107.9500	0.338	2	107.9500	0.114	2	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SFe2O)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SFe2O)(CCHH)(H)2	H(CCHS)	H(CCHS)	107.5060	0.000	1	107.5060	0.000	1	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SIrCO)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SIrCO)(CHHS)(H)2	H(CCHS)	H(CCHS)	108.2993	0.367	7	108.2993	0.135	7	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SMn2C)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SMn2C)(CCHH)(H)2	H(CCHS)	H(CCHS)	107.3980	0.017	2	107.3980	0.000	2	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SN[3]OO)(CSiHH)(H)2	H(CCHS)	H(CCHS)	C(SN[3]OO)(CSiHH)(H)2	H(CCHS)	H(CCHS)	108.9757	1.903	3	108.9757	3.623	3	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SNiOO)(CHHN)(H)2	H(CCHS)	H(CCHS)	C(SNiOO)(CHHN)(H)2	H(CCHS)	H(CCHS)	110.5980	3.990	4	110.5980	15.918	4	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SPdOO)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SPdOO)(CHHS)(H)2	H(CCHS)	H(CCHS)	108.4370	0.024	2	108.4370	0.001	2	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SPt2C)(CH3)(H)2	H(CCHS)	H(CCHS)	C(SPt2C)(CH3)(H)2	H(CCHS)	H(CCHS)	108.2227	0.092	6	108.2227	0.008	6	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SPtCO)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SPtCO)(CCHH)(H)2	H(CCHS)	H(CCHS)	109.5205	0.043	2	109.5205	0.002	2	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SPtCO)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SPtCO)(CHHS)(H)2	H(CCHS)	H(CCHS)	109.3340	0.600	2	109.3340	0.360	2	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SRhCO)(CHHS)(H)2	H(CCHS)	H(CCHS)	C(SRhCO)(CHHS)(H)2	H(CCHS)	H(CCHS)	108.1903	0.315	6	108.1903	0.099	6	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:C-4:H-1:H-1:	C-4:	C-4:	C(SRhOO)(CCHH)(H)2	H(CCHS)	H(CCHS)	C(SRhOO)(CCHH)(H)2	H(CCHS)	H(CCHS)	107.6260	0.000	1	107.6260	0.000	1	108.4266	1.596	121	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:P-4:H-1:H-1:	C-4:	C-4:	C(SCOO)(PO3)(H)2	H(CHPS)	H(CHPS)	C(SCOO)(PO3)(H)2	H(CHPS)	H(CHPS)	107.5618	0.095	6	107.5618	0.009	6	107.5618	0.009	6	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:S-4:H-1:H-1:	C-4:	C-4:	C(SCOO)(SNOO)(H)2	H(CHSS)	H(CHSS)	C(SCOO)(SNOO)(H)2	H(CHSS)	H(CHSS)	107.4300	0.000	1	107.4300	0.000	1	108.3240	4.133	11	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:S-4:H-1:H-1:	C-4:	C-4:	C(SCOO)(SO3)(H)2	H(CHSS)	H(CHSS)	C(SCOO)(SO3)(H)2	H(CHSS)	H(CHSS)	107.6550	0.000	1	107.6550	0.000	1	108.3240	4.133	11	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:S-4:H-1:H-1:	C-4:	C-4:	C(SCOO)2(H)2	H(CHSS)	H(CHSS)	C(SCOO)2(H)2	H(CHSS)	H(CHSS)	107.9613	1.144	6	107.9613	1.308	6	108.3240	4.133	11	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:S-4:H-1:H-1:	C-4:	C-4:	C(SC[6a]OO)2(H)2	H(CHSS)	H(CHSS)	C(SC[6a]OO)2(H)2	H(CHSS)	H(CHSS)	107.4070	0.113	2	107.4070	0.013	2	108.3240	4.133	11	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S-4:S-4:H-1:H-1:	C-4:	C-4:	C(SN3)2(H)2	H(CHSS)	H(CHSS)	C(SN3)2(H)2	H(CHSS)	H(CHSS)	113.8970	0.000	1	113.8970	0.000	1	108.3240	4.133	11	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(S[5]C[5]N[5]O)(CCHH)(H)2	H(CS[5]CH)	H(CS[5]CH)	C(S[5]C[5]N[5]O)(CCHH)(H)2	H(CS[5]CH)	H(CS[5]CH)	114.3480	0.000	1	114.3480	0.000	1	114.3480	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	S[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(S[6]C[6,6a]N[6]O)(CH3)(H)2	H(CS[6]CH)	H(CS[6]CH)	C(S[6]C[6,6a]N[6]O)(CH3)(H)2	H(CS[6]CH)	H(CS[6]CH)	108.1880	0.000	1	108.1880	0.000	1	108.1880	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Se-4:C-4:H-1:H-1:	C-4:	C-4:	C(SeC[6a]OO)(CC[5]HH)(H)2	H(CSeCH)	H(CSeCH)	C(SeC[6a]OO)(CC[5]HH)(H)2	H(CSeCH)	H(CSeCH)	108.3985	0.178	8	108.3985	0.032	8	108.3985	0.032	8	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiBrHH)(CSiHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiBrHH)(CSiHH)(H)2	H(CSiCH)	H(CSiCH)	104.4020	0.000	1	104.4020	0.000	1	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC3)(CC3)(H)2	H(CSiCH)	H(CSiCH)	C(SiC3)(CC3)(H)2	H(CSiCH)	H(CSiCH)	106.7090	0.083	4	106.7090	0.007	4	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC3)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiC3)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.6290	0.813	77	107.6290	0.660	77	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiCCH)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiCCH)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	107.9200	0.000	1	107.9200	0.000	1	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiCCH)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiCCH)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.3123	0.342	7	107.3123	0.117	7	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiCCN)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiCCN)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.5272	0.256	9	107.5272	0.065	9	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiCCO)(CCCH)(H)2	H(CSiCH)	H(CSiCH)	C(SiCCO)(CCCH)(H)2	H(CSiCH)	H(CSiCH)	107.1819	0.341	8	107.1819	0.116	8	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiCCO)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiCCO)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	106.6810	1.459	9	106.6810	2.128	9	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiCCO)(CCHO)(H)2	H(CSiCH)	H(CSiCH)	C(SiCCO)(CCHO)(H)2	H(CSiCH)	H(CSiCH)	105.4430	1.837	3	105.4430	3.373	3	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiCCO)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiCCO)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.3958	0.672	70	107.3958	0.451	70	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiCCO)(CHHP)(H)2	H(CSiCH)	H(CSiCH)	C(SiCCO)(CHHP)(H)2	H(CSiCH)	H(CSiCH)	107.5639	0.220	9	107.5639	0.048	9	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiCCO)(CHHS)(H)2	H(CSiCH)	H(CSiCH)	C(SiCCO)(CHHS)(H)2	H(CSiCH)	H(CSiCH)	107.5835	0.350	2	107.5835	0.123	2	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiCCP)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiCCP)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.4183	0.418	6	107.4183	0.175	6	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiCCS)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiCCS)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.3900	0.000	1	107.3900	0.000	1	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiCCW)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiCCW)(CH3)(H)2	H(CSiCH)	H(CSiCH)	106.9893	0.207	3	106.9893	0.043	3	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiCOO)(CCCH)(H)2	H(CSiCH)	H(CSiCH)	C(SiCOO)(CCCH)(H)2	H(CSiCH)	H(CSiCH)	107.2198	0.166	6	107.2198	0.028	6	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiCOO)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiCOO)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	107.6086	0.280	7	107.6086	0.078	7	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiCOO)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiCOO)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.5358	0.310	4	107.5358	0.096	4	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[3x3,4,3x5,14x6]CC)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[3x3,4,3x5,14x6]CC)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.3140	0.148	3	107.3140	0.022	3	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[5]2C)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[5]2C)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.4057	0.178	3	107.4057	0.032	3	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[5]CC)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[5]CC)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	107.6250	0.000	1	107.6250	0.000	1	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[5]CC)(CCNU)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[5]CC)(CCNU)(H)2	H(CSiCH)	H(CSiCH)	108.0690	0.000	1	108.0690	0.000	1	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[5]CC)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[5]CC)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.4403	0.302	35	107.4403	0.091	35	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[5]CC)(CSiHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[5]CC)(CSiHH)(H)2	H(CSiCH)	H(CSiCH)	106.6687	1.812	18	106.6687	3.285	18	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[5]CC)(CTiCH)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[5]CC)(CTiCH)(H)2	H(CSiCH)	H(CSiCH)	108.1965	0.223	2	108.1965	0.050	2	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[5]CO)(CSiHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[5]CO)(CSiHH)(H)2	H(CSiCH)	H(CSiCH)	107.8447	0.138	3	107.8447	0.019	3	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[5]MnH)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[5]MnH)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	107.1480	0.000	1	107.1480	0.000	1	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[5a]CC)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[5a]CC)(CH3)(H)2	H(CSiCH)	H(CSiCH)	109.4460	0.035	2	109.4460	0.001	2	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[5a]CC)(CSiHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[5a]CC)(CSiHH)(H)2	H(CSiCH)	H(CSiCH)	107.7950	0.000	1	107.7950	0.000	1	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[5x3,5x5,20x6]CC)(CSiHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[5x3,5x5,20x6]CC)(CSiHH)(H)2	H(CSiCH)	H(CSiCH)	107.3460	0.000	1	107.3460	0.000	1	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[6]CC)(CCuCH)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[6]CC)(CCuCH)(H)2	H(CSiCH)	H(CSiCH)	109.6140	0.850	2	109.6140	0.722	2	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[6]CC)(CSiHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[6]CC)(CSiHH)(H)2	H(CSiCH)	H(CSiCH)	107.5505	0.159	2	107.5505	0.025	2	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[6]CH)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[6]CH)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.7432	0.176	5	107.7432	0.031	5	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2C)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[6a]2C)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	107.6020	0.000	1	107.6020	0.000	1	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2C)(CCHN)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[6a]2C)(CCHN)(H)2	H(CSiCH)	H(CSiCH)	106.6600	0.203	3	106.6600	0.041	3	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2C)(CSiHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[6a]2C)(CSiHH)(H)2	H(CSiCH)	H(CSiCH)	106.5398	1.357	5	106.5398	1.843	5	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2O)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[6a]2O)(CH3)(H)2	H(CSiCH)	H(CSiCH)	112.3720	0.000	1	112.3720	0.000	1	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2Rh)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[6a]2Rh)(CH3)(H)2	H(CSiCH)	H(CSiCH)	109.5200	0.000	1	109.5200	0.000	1	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[6a]3)(CCCH)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[6a]3)(CCCH)(H)2	H(CSiCH)	H(CSiCH)	109.4230	0.000	1	109.4230	0.000	1	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[6a]3)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[6a]3)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	106.4415	0.699	2	106.4415	0.489	2	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CC)(CCCH)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[6a]CC)(CCCH)(H)2	H(CSiCH)	H(CSiCH)	107.1400	0.000	1	107.1400	0.000	1	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CC)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[6a]CC)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	107.4758	0.183	10	107.4758	0.033	10	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CC)(CC[6a]CH)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[6a]CC)(CC[6a]CH)(H)2	H(CSiCH)	H(CSiCH)	107.3330	0.000	1	107.3330	0.000	1	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CC)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[6a]CC)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.6081	0.095	8	107.6081	0.009	8	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CC)(CHHN)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[6a]CC)(CHHN)(H)2	H(CSiCH)	H(CSiCH)	107.5315	0.213	2	107.5315	0.045	2	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CC)(CHHO)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[6a]CC)(CHHO)(H)2	H(CSiCH)	H(CSiCH)	107.1013	4.128	3	107.1013	17.043	3	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CC)(CSiHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[6a]CC)(CSiHH)(H)2	H(CSiCH)	H(CSiCH)	107.7143	0.907	6	107.7143	0.823	6	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[6a]C[5]C)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[6a]C[5]C)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.5755	0.104	2	107.5755	0.011	2	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiCl2C)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiCl2C)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	106.4520	1.588	2	106.4520	2.522	2	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiCuSi2)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiCuSi2)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.5790	0.147	2	107.5790	0.022	2	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiFe2C)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiFe2C)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.5006	0.389	5	107.5006	0.151	5	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiGe[3,4,4,3x5,4x6]C[6a]2)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiGe[3,4,4,3x5,4x6]C[6a]2)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	107.1290	0.000	1	107.1290	0.000	1	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiHHN)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiHHN)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	107.7720	0.000	1	107.7720	0.000	1	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiIrCC)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiIrCC)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	106.8476	0.113	8	106.8476	0.013	8	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiIrCC)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiIrCC)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.7791	0.853	21	107.7791	0.728	21	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiIrCF)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiIrCF)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	107.3080	0.000	1	107.3080	0.000	1	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiN[5]3)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiN[5]3)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.1200	0.000	1	107.1200	0.000	1	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiN[5]OO)(CHHS)(H)2	H(CSiCH)	H(CSiCH)	C(SiN[5]OO)(CHHS)(H)2	H(CSiCH)	H(CSiCH)	108.0720	0.000	1	108.0720	0.000	1	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiN[5a]2C)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiN[5a]2C)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.7845	0.070	2	107.7845	0.005	2	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiN[6]BrH)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiN[6]BrH)(CH3)(H)2	H(CSiCH)	H(CSiCH)	106.5710	0.000	1	106.5710	0.000	1	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiNiCH)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiNiCH)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.7438	0.117	4	107.7438	0.014	4	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiP[5]CC)(CSiHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiP[5]CC)(CSiHH)(H)2	H(CSiCH)	H(CSiCH)	102.9468	4.499	2	102.9468	20.239	2	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiPt2C)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiPt2C)(CH3)(H)2	H(CSiCH)	H(CSiCH)	109.4745	0.022	2	109.4745	0.000	2	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiPtCC)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiPtCC)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.6230	0.350	12	107.6230	0.122	12	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiPtRuC)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiPtRuC)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.1180	1.889	2	107.1180	3.570	2	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiRhCC)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiRhCC)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.3287	0.206	15	107.3287	0.043	15	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiRhCH)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiRhCH)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.4975	0.029	2	107.4975	0.001	2	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiRhCO)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiRhCO)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.3335	0.153	2	107.3335	0.024	2	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiRuCC)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiRuCC)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.3908	0.159	12	107.3908	0.025	12	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiRuCC)(CSiHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiRuCC)(CSiHH)(H)2	H(CSiCH)	H(CSiCH)	108.8695	2.733	2	108.8695	7.469	2	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiRuCH)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiRuCH)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.4245	0.363	2	107.4245	0.132	2	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiSi2O)(CSiHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiSi2O)(CSiHH)(H)2	H(CSiCH)	H(CSiCH)	107.2908	0.325	5	107.2908	0.105	5	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiSiCC)(CC3)(H)2	H(CSiCH)	H(CSiCH)	C(SiSiCC)(CC3)(H)2	H(CSiCH)	H(CSiCH)	105.5840	0.000	1	105.5840	0.000	1	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:C-4:H-1:H-1:	C-4:	C-4:	C(SiSi[6]CC)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiSi[6]CC)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.3893	0.505	3	107.3893	0.255	3	107.4177	0.949	466	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:N-4:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2C)(NC[6]ZnC)(H)2	H(CSiHN)	H(CSiHN)	C(SiC[6a]2C)(NC[6]ZnC)(H)2	H(CSiHN)	H(CSiHN)	106.8003	0.084	4	106.8003	0.007	4	106.7092	0.058	6	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:N-4:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CC)(NC[6]ZnC)(H)2	H(CSiHN)	H(CSiHN)	C(SiC[6a]CC)(NC[6]ZnC)(H)2	H(CSiHN)	H(CSiHN)	106.5270	0.412	2	106.5270	0.169	2	106.7092	0.058	6	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:P-4:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CoH)(PCoCC)(H)2	H(CSiHP)	H(CSiHP)	C(SiC[6a]CoH)(PCoCC)(H)2	H(CSiHP)	H(CSiHP)	110.8710	0.000	1	110.8710	0.000	1	108.6440	9.919	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:P-4:H-1:H-1:	C-4:	C-4:	C(SiN[5]CC)(PCoCC)(H)2	H(CSiHP)	H(CSiHP)	C(SiN[5]CC)(PCoCC)(H)2	H(CSiHP)	H(CSiHP)	106.4170	0.000	1	106.4170	0.000	1	108.6440	9.919	2	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:Si-4:H-1:H-1:	C-4:	C-4:	C(SiC3)2(H)2	H(CSi2H)	H(CSi2H)	C(SiC3)2(H)2	H(CSi2H)	H(CSi2H)	107.4300	0.000	1	107.4300	0.000	1	106.9151	0.908	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:Si-4:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2C)(SiC3)(H)2	H(CSi2H)	H(CSi2H)	C(SiC[6a]2C)(SiC3)(H)2	H(CSi2H)	H(CSi2H)	106.8775	0.081	2	106.8775	0.007	2	106.9151	0.908	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:Si-4:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2C)2(H)2	H(CSi2H)	H(CSi2H)	C(SiC[6a]2C)2(H)2	H(CSi2H)	H(CSi2H)	106.8700	0.000	1	106.8700	0.000	1	106.9151	0.908	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:Si-4:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CC)(SiC3)(H)2	H(CSi2H)	H(CSi2H)	C(SiC[6a]CC)(SiC3)(H)2	H(CSi2H)	H(CSi2H)	106.8197	0.158	3	106.8197	0.025	3	106.9151	0.908	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:Si-4:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CC)(SiCl2C)(H)2	H(CSi2H)	H(CSi2H)	C(SiC[6a]CC)(SiCl2C)(H)2	H(CSi2H)	H(CSi2H)	106.8500	0.000	1	106.8500	0.000	1	106.9151	0.908	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:Si-4:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CC)(SiCl3)(H)2	H(CSi2H)	H(CSi2H)	C(SiC[6a]CC)(SiCl3)(H)2	H(CSi2H)	H(CSi2H)	106.7810	0.000	1	106.7810	0.000	1	106.9151	0.908	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:Si-4:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CC)(SiClCC)(H)2	H(CSi2H)	H(CSi2H)	C(SiC[6a]CC)(SiClCC)(H)2	H(CSi2H)	H(CSi2H)	106.9340	0.000	1	106.9340	0.000	1	106.9151	0.908	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:Si-4:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CC)(SiSi3)(H)2	H(CSi2H)	H(CSi2H)	C(SiC[6a]CC)(SiSi3)(H)2	H(CSi2H)	H(CSi2H)	106.0640	0.000	1	106.0640	0.000	1	106.9151	0.908	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:Si-4:H-1:H-1:	C-4:	C-4:	C(SiRuCC)(SiC3)(H)2	H(CSi2H)	H(CSi2H)	C(SiRuCC)(SiC3)(H)2	H(CSi2H)	H(CSi2H)	110.2320	0.000	1	110.2320	0.000	1	106.9151	0.908	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si-4:Si-4:H-1:H-1:	C-4:	C-4:	C(SiSi3)(SiC3)(H)2	H(CSi2H)	H(CSi2H)	C(SiSi3)(SiC3)(H)2	H(CSi2H)	H(CSi2H)	106.3167	0.165	4	106.3167	0.027	4	106.9151	0.908	16	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si[3]-4:C-4:H-1:H-1:	C-4:	C-4:	C(Si[3]C[3]2N)(CSiHH)(H)2	H(CSi[3]CH)	H(CSi[3]CH)	C(Si[3]C[3]2N)(CSiHH)(H)2	H(CSi[3]CH)	H(CSi[3]CH)	107.6840	0.000	1	107.6840	0.000	1	107.6840	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si[3x6]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(Si[3x6]Si[6,6]3)(SiC3)(H)2	H(CSi[3x6]SiH)	H(CSi[3x6]SiH)	C(Si[3x6]Si[6,6]3)(SiC3)(H)2	H(CSi[3x6]SiH)	H(CSi[3x6]SiH)	106.4070	0.000	1	106.4070	0.000	1	106.4070	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si[4]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(Si[4]C[4]2C)(SiSi3)(H)2	H(CSi[4]SiH)	H(CSi[4]SiH)	C(Si[4]C[4]2C)(SiSi3)(H)2	H(CSi[4]SiH)	H(CSi[4]SiH)	106.8363	0.082	3	106.8363	0.007	3	106.8363	0.007	3	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5,6a]2C)(CH3)(H)2	H(CSi[5]CH)	H(CSi[5]CH)	C(Si[5]C[5,6a]2C)(CH3)(H)2	H(CSi[5]CH)	H(CSi[5]CH)	107.4820	0.110	2	107.4820	0.012	2	107.5848	0.088	6	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5,6a]2C[5])(CCHH)(H)2	H(CSi[5]CH)	H(CSi[5]CH)	C(Si[5]C[5,6a]2C[5])(CCHH)(H)2	H(CSi[5]CH)	H(CSi[5]CH)	107.8430	0.000	1	107.8430	0.000	1	107.5848	0.088	6	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5,6a]C[5]Cl)(CSi[5]HH)(H)2	H(CSi[5]CH)	H(CSi[5]CH)	C(Si[5]C[5,6a]C[5]Cl)(CSi[5]HH)(H)2	H(CSi[5]CH)	H(CSi[5]CH)	108.0160	0.000	1	108.0160	0.000	1	107.5848	0.088	6	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(Si[5]N[5,6]O[5]O)(CCHH)(H)2	H(CSi[5]CH)	H(CSi[5]CH)	C(Si[5]N[5,6]O[5]O)(CCHH)(H)2	H(CSi[5]CH)	H(CSi[5]CH)	107.2090	0.000	1	107.2090	0.000	1	107.5848	0.088	6	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si[5]-4:C-4:H-1:H-1:	C-4:	C-4:	C(Si[5]Si[5]N[5]2)(CCHH)(H)2	H(CSi[5]CH)	H(CSi[5]CH)	C(Si[5]Si[5]N[5]2)(CCHH)(H)2	H(CSi[5]CH)	H(CSi[5]CH)	107.4770	0.000	1	107.4770	0.000	1	107.5848	0.088	6	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si[5]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(Si[5]Si[5]C[5]Si)(SiC3)(H)2	H(CSi[5]SiH)	H(CSi[5]SiH)	C(Si[5]Si[5]C[5]Si)(SiC3)(H)2	H(CSi[5]SiH)	H(CSi[5]SiH)	105.2070	0.000	1	105.2070	0.000	1	105.2070	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si[5]-4:Si[5]-4:H-1:H-1:	C-4:	C-4:	C(Si[5]Si[5]N[5]2)2(H)2	H(CSi[5]2H)	H(CSi[5]2H)	C(Si[5]Si[5]N[5]2)2(H)2	H(CSi[5]2H)	H(CSi[5]2H)	105.6590	0.000	1	105.6590	0.000	1	105.6590	0.000	1	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(Si[6]C[6,6]O[6]C)(CH3)(H)2	H(CSi[6]CH)	H(CSi[6]CH)	C(Si[6]C[6,6]O[6]C)(CH3)(H)2	H(CSi[6]CH)	H(CSi[6]CH)	107.4840	0.132	2	107.4840	0.017	2	107.5138	0.009	4	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si[6]-4:C-4:H-1:H-1:	C-4:	C-4:	C(Si[6]C[6]N[6]C)(CH3)(H)2	H(CSi[6]CH)	H(CSi[6]CH)	C(Si[6]C[6]N[6]C)(CH3)(H)2	H(CSi[6]CH)	H(CSi[6]CH)	107.5435	0.087	2	107.5435	0.008	2	107.5138	0.009	4	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si[6]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(Si[6]Si[6]2C)(SiC3)(H)2	H(CSi[6]SiH)	H(CSi[6]SiH)	C(Si[6]Si[6]2C)(SiC3)(H)2	H(CSi[6]SiH)	H(CSi[6]SiH)	106.4650	0.074	2	106.4650	0.005	2	106.3552	0.029	4	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:4:1:1:	4:	4:	Si[6]-4:Si-4:H-1:H-1:	C-4:	C-4:	C(Si[6]Si[6]2Si)(SiC3)(H)2	H(CSi[6]SiH)	H(CSi[6]SiH)	C(Si[6]Si[6]2Si)(SiC3)(H)2	H(CSi[6]SiH)	H(CSi[6]SiH)	106.2455	0.183	2	106.2455	0.034	2	106.3552	0.029	4	107.7777	1.781	83305	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:5:1:1:	4:	4:	C-4:B-5:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(BRu2CH)(H)2	H(CBCH)	H(CBCH)	C(CC[6a]HH)(BRu2CH)(H)2	H(CBCH)	H(CBCH)	107.9260	0.195	3	107.9260	0.038	3	107.9260	0.038	3	108.2100	0.541	25	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:5:1:1:	4:	4:	C-4:C-5:H-1:H-1:	C-4:	C-4:	C(CHHO)(CH4)(H)2	H(CCCH)	H(CCCH)	C(CHHO)(CH4)(H)2	H(CCCH)	H(CCCH)	107.8720	0.000	1	107.8720	0.000	1	107.6235	0.124	2	108.2100	0.541	25	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:5:1:1:	4:	4:	C-4:C-5:H-1:H-1:	C-4:	C-4:	C(CSiHH)(CAl4)(H)2	H(CCCH)	H(CCCH)	C(CSiHH)(CAl4)(H)2	H(CCCH)	H(CCCH)	107.3750	0.000	1	107.3750	0.000	1	107.6235	0.124	2	108.2100	0.541	25	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:5:1:1:	4:	4:	C[5]-4:C-5:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(CRuCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Fe)(CRuCHH)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6830	0.000	1	107.6830	0.000	1	107.8305	0.044	2	108.2100	0.541	25	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:5:1:1:	4:	4:	C[5]-4:C-5:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Ho)(CHoHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2Ho)(CHoHHN)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.9780	0.000	1	107.9780	0.000	1	107.8305	0.044	2	108.2100	0.541	25	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:5:1:1:	4:	4:	C[5]-4:O-5:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(OLi4)(H)2	H(CC[5]HO)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OLi4)(H)2	H(CC[5]HO)	H(CC[5]HO)	107.7090	0.000	1	107.7090	0.000	1	107.7090	0.000	1	108.2100	0.541	25	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:5:1:1:	4:	4:	C[5]-4:Si-5:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2U)(SiC3U)(H)2	H(CC[5]SiH)	H(CC[5]SiH)	C(C[5]C[5]2U)(SiC3U)(H)2	H(CC[5]SiH)	H(CC[5]SiH)	109.1960	0.000	1	109.1960	0.000	1	109.1960	0.000	1	108.2100	0.541	25	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:5:1:1:	4:	4:	N-4:C-5:H-1:H-1:	C-4:	C-4:	C(NNiCC)(CH3N)(H)2	H(CCHN)	H(CCHN)	C(NNiCC)(CH3N)(H)2	H(CCHN)	H(CCHN)	108.1470	0.000	1	108.1470	0.000	1	108.1470	0.000	1	108.2100	0.541	25	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:5:1:1:	4:	4:	N[6]-4:Si-5:H-1:H-1:	C-4:	C-4:	C(N[6]C[6]2Mg)(SiMgCCN)(H)2	H(CN[6]SiH)	H(CN[6]SiH)	C(N[6]C[6]2Mg)(SiMgCCN)(H)2	H(CN[6]SiH)	H(CN[6]SiH)	107.3812	0.057	5	107.3812	0.003	5	107.3812	0.003	5	108.2100	0.541	25	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:5:1:1:	4:	4:	P-4:Si-5:H-1:H-1:	C-4:	C-4:	C(PC[6]ZrC)(SiZrCCN)(H)2	H(CSiHP)	H(CSiHP)	C(PC[6]ZrC)(SiZrCCN)(H)2	H(CSiHP)	H(CSiHP)	109.4220	0.042	2	109.4220	0.002	2	108.8607	0.291	10	108.2100	0.541	25	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:5:1:1:	4:	4:	P-4:Si-5:H-1:H-1:	C-4:	C-4:	C(PC[6a]RhC)(SiRhCCN)(H)2	H(CSiHP)	H(CSiHP)	C(PC[6a]RhC)(SiRhCCN)(H)2	H(CSiHP)	H(CSiHP)	108.7970	0.221	2	108.7970	0.049	2	108.8607	0.291	10	108.2100	0.541	25	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:5:1:1:	4:	4:	P-4:Si-5:H-1:H-1:	C-4:	C-4:	C(PC[6a]TaC)(SiTaCCN)(H)2	H(CSiHP)	H(CSiHP)	C(PC[6a]TaC)(SiTaCCN)(H)2	H(CSiHP)	H(CSiHP)	108.3157	0.097	4	108.3157	0.009	4	108.8607	0.291	10	108.2100	0.541	25	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:5:1:1:	4:	4:	P-4:Si-5:H-1:H-1:	C-4:	C-4:	C(PC[6a]ZrC)(SiZrCCN)(H)2	H(CSiHP)	H(CSiHP)	C(PC[6a]ZrC)(SiZrCCN)(H)2	H(CSiHP)	H(CSiHP)	109.4530	0.092	2	109.4530	0.008	2	108.8607	0.291	10	108.2100	0.541	25	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:6:1:1:	4:	4:	C-4:S-6:H-1:H-1:	C-4:	C-4:	C(CCHH)(SF5)(H)2	H(CCHS)	H(CCHS)	C(CCHH)(SF5)(H)2	H(CCHS)	H(CCHS)	107.3080	0.000	1	107.3080	0.000	1	108.4410	2.567	2	108.8907	1.890	3	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:6:1:1:	4:	4:	C-4:S-6:H-1:H-1:	C-4:	C-4:	C(CFFS)(SF5)(H)2	H(CCHS)	H(CCHS)	C(CFFS)(SF5)(H)2	H(CCHS)	H(CCHS)	109.5740	0.000	1	109.5740	0.000	1	108.4410	2.567	2	108.8907	1.890	3	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	4:6:1:1:	4:	4:	C[4]-4:S-6:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]N[4]H)(SF5)(H)2	H(CC[4]HS)	H(CC[4]HS)	C(C[4]C[4]N[4]H)(SF5)(H)2	H(CC[4]HS)	H(CC[4]HS)	109.7900	0.000	1	109.7900	0.000	1	109.7900	0.000	1	108.8907	1.890	3	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	As-5:H-1:H-1:H-1:	C-4:	C-4:	C(AsRh2CC)(H)3	H(CAsHH)	H(CAsHH)	C(AsRh2CC)(H)3	H(CAsHH)	H(CAsHH)	109.4752	0.046	12	109.4752	0.002	12	109.4752	0.002	12	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	B-5:H-1:H-1:H-1:	C-4:	C-4:	C(BN[5a]2RhH)(H)3	H(CBHH)	H(CBHH)	C(BN[5a]2RhH)(H)3	H(CBHH)	H(CBHH)	109.4512	0.039	6	109.4512	0.002	6	109.4699	0.003	31	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	B-5:H-1:H-1:H-1:	C-4:	C-4:	C(BZrH3)(H)3	H(CBHH)	H(CBHH)	C(BZrH3)(H)3	H(CBHH)	H(CBHH)	109.4744	0.055	25	109.4744	0.003	25	109.4699	0.003	31	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	B[3x3,5,6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(B[3x3,5,6]B[3x3,5,5,6]B[4x3,5,6]B[5x3,5]H[3])(H)3	H(CB[3x3,5,6]HH)	H(CB[3x3,5,6]HH)	C(B[3x3,5,6]B[3x3,5,5,6]B[4x3,5,6]B[5x3,5]H[3])(H)3	H(CB[3x3,5,6]HH)	H(CB[3x3,5,6]HH)	109.4605	0.015	2	109.4605	0.000	2	109.4605	0.000	2	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	B[4x3,4x5,4x6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6])(H)3	H(CB[4x3,4x5,4x6]HH)	H(CB[4x3,4x5,4x6]HH)	C(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6])(H)3	H(CB[4x3,4x5,4x6]HH)	H(CB[4x3,4x5,4x6]HH)	109.4870	0.052	6	109.4870	0.003	6	109.4870	0.003	6	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	B[5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(B[5]C[5]2Co2)(H)3	H(CB[5]HH)	H(CB[5]HH)	C(B[5]C[5]2Co2)(H)3	H(CB[5]HH)	H(CB[5]HH)	109.4555	0.066	22	109.4555	0.004	22	109.4615	0.003	31	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	B[5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(B[5]C[5]2CoRu)(H)3	H(CB[5]HH)	H(CB[5]HH)	C(B[5]C[5]2CoRu)(H)3	H(CB[5]HH)	H(CB[5]HH)	109.4761	0.032	9	109.4761	0.001	9	109.4615	0.003	31	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	B[6a]-5:H-1:H-1:H-1:	C-4:	C-4:	C(B[6a]N[6a]2MnC)(H)3	H(CB[6a]HH)	H(CB[6a]HH)	C(B[6a]N[6a]2MnC)(H)3	H(CB[6a]HH)	H(CB[6a]HH)	109.4833	0.074	6	109.4833	0.005	6	109.4833	0.005	6	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:Cl-1:H-1:H-1:	C-4:	C-4:	C(CCHOW)(Cl)(H)2	H(CClCH)	H(CClCH)	C(CCHOW)(Cl)(H)2	H(CClCH)	H(CClCH)	108.1420	0.000	1	108.1420	0.000	1	108.1420	0.000	1	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CAlCaHH)(H)3	H(CCHH)	H(CCHH)	C(CAlCaHH)(H)3	H(CCHH)	H(CCHH)	109.4794	0.059	5	109.4794	0.003	5	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CAlHHY)(H)3	H(CCHH)	H(CCHH)	C(CAlHHY)(H)3	H(CCHH)	H(CCHH)	109.4645	0.035	2	109.4645	0.001	2	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CAlYbHH)(H)3	H(CCHH)	H(CCHH)	C(CAlYbHH)(H)3	H(CCHH)	H(CCHH)	109.4994	0.127	20	109.4994	0.016	20	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CBHHW)(H)3	H(CCHH)	H(CCHH)	C(CBHHW)(H)3	H(CCHH)	H(CCHH)	108.5600	4.272	6	108.5600	18.253	6	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CCCNU)(H)3	H(CCHH)	H(CCHH)	C(CCCNU)(H)3	H(CCHH)	H(CCHH)	109.4527	0.152	52	109.4527	0.023	52	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CCCOU)(H)3	H(CCHH)	H(CCHH)	C(CCCOU)(H)3	H(CCHH)	H(CCHH)	109.4781	0.062	9	109.4781	0.004	9	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CCCOW)(H)3	H(CCHH)	H(CCHH)	C(CCCOW)(H)3	H(CCHH)	H(CCHH)	109.4666	0.032	9	109.4666	0.001	9	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CCHHP)(H)3	H(CCHH)	H(CCHH)	C(CCHHP)(H)3	H(CCHH)	H(CCHH)	109.4780	0.229	6	109.4780	0.052	6	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3,4,5,6x6]C[5]HfC)(H)3	H(CCHH)	H(CCHH)	C(CC[3,4,5,6x6]C[5]HfC)(H)3	H(CCHH)	H(CCHH)	109.4220	0.118	5	109.4220	0.014	5	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CC[3x3,3x5,12x6]C[5]ZrC)(H)3	H(CCHH)	H(CCHH)	C(CC[3x3,3x5,12x6]C[5]ZrC)(H)3	H(CCHH)	H(CCHH)	109.4425	0.040	4	109.4425	0.002	4	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]2HfC)(H)3	H(CCHH)	H(CCHH)	C(CC[5]2HfC)(H)3	H(CCHH)	H(CCHH)	109.4765	0.045	2	109.4765	0.002	2	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]2ZrC)(H)3	H(CCHH)	H(CCHH)	C(CC[5]2ZrC)(H)3	H(CCHH)	H(CCHH)	109.4895	0.052	15	109.4895	0.003	15	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]C[6]TaC)(H)3	H(CCHH)	H(CCHH)	C(CC[5]C[6]TaC)(H)3	H(CCHH)	H(CCHH)	109.4725	0.042	16	109.4725	0.002	16	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]CeCO)(H)3	H(CCHH)	H(CCHH)	C(CC[5]CeCO)(H)3	H(CCHH)	H(CCHH)	109.4751	0.040	9	109.4751	0.002	9	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]HfCO)(H)3	H(CCHH)	H(CCHH)	C(CC[5]HfCO)(H)3	H(CCHH)	H(CCHH)	109.4583	0.072	3	109.4583	0.005	3	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]TiHN)(H)3	H(CCHH)	H(CCHH)	C(CC[5]TiHN)(H)3	H(CCHH)	H(CCHH)	109.4675	0.005	2	109.4675	0.000	2	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CC[5]ZrCH)(H)3	H(CCHH)	H(CCHH)	C(CC[5]ZrCH)(H)3	H(CCHH)	H(CCHH)	109.4665	0.062	4	109.4665	0.004	4	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]CCY)(H)3	H(CCHH)	H(CCHH)	C(CC[6]CCY)(H)3	H(CCHH)	H(CCHH)	109.4525	0.021	4	109.4525	0.000	4	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]HoCC)(H)3	H(CCHH)	H(CCHH)	C(CC[6]HoCC)(H)3	H(CCHH)	H(CCHH)	109.4672	0.037	6	109.4672	0.001	6	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]LuCC)(H)3	H(CCHH)	H(CCHH)	C(CC[6]LuCC)(H)3	H(CCHH)	H(CCHH)	109.4663	0.035	3	109.4663	0.001	3	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6]TaCN)(H)3	H(CCHH)	H(CCHH)	C(CC[6]TaCN)(H)3	H(CCHH)	H(CCHH)	109.4910	0.058	11	109.4910	0.003	11	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]HOP)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]HOP)(H)3	H(CCHH)	H(CCHH)	109.4980	0.023	3	109.4980	0.001	3	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]ZrCO)(H)3	H(CCHH)	H(CCHH)	C(CC[6a]ZrCO)(H)3	H(CCHH)	H(CCHH)	107.6395	2.506	6	107.6395	6.282	6	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CCeCCO)(H)3	H(CCHH)	H(CCHH)	C(CCeCCO)(H)3	H(CCHH)	H(CCHH)	109.4702	0.065	12	109.4702	0.004	12	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CCeCHN)(H)3	H(CCHH)	H(CCHH)	C(CCeCHN)(H)3	H(CCHH)	H(CCHH)	109.4753	0.019	3	109.4753	0.000	3	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CFe3C)(H)3	H(CCHH)	H(CCHH)	C(CFe3C)(H)3	H(CCHH)	H(CCHH)	108.6227	0.351	3	108.6227	0.123	3	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CFeRuBC)(H)3	H(CCHH)	H(CCHH)	C(CFeRuBC)(H)3	H(CCHH)	H(CCHH)	109.5078	0.081	5	109.5078	0.007	5	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CHHNW)(H)3	H(CCHH)	H(CCHH)	C(CHHNW)(H)3	H(CCHH)	H(CCHH)	106.6231	14.479	3	106.6231	209.639	3	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CIrCWW)(H)3	H(CCHH)	H(CCHH)	C(CIrCWW)(H)3	H(CCHH)	H(CCHH)	109.4867	0.354	3	109.4867	0.125	3	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CLaBHH)(H)3	H(CCHH)	H(CCHH)	C(CLaBHH)(H)3	H(CCHH)	H(CCHH)	108.3797	3.823	3	108.3797	14.612	3	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CLaCHN)(H)3	H(CCHH)	H(CCHH)	C(CLaCHN)(H)3	H(CCHH)	H(CCHH)	109.4806	0.077	5	109.4806	0.006	5	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CLaHHO)(H)3	H(CCHH)	H(CCHH)	C(CLaHHO)(H)3	H(CCHH)	H(CCHH)	109.3857	0.045	3	109.3857	0.002	3	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CLi2CH)(H)3	H(CCHH)	H(CCHH)	C(CLi2CH)(H)3	H(CCHH)	H(CCHH)	109.4536	0.045	21	109.4536	0.002	21	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CNaCHH)(H)3	H(CCHH)	H(CCHH)	C(CNaCHH)(H)3	H(CCHH)	H(CCHH)	109.4920	0.094	6	109.4920	0.009	6	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(COOUU)(H)3	H(CCHH)	H(CCHH)	C(COOUU)(H)3	H(CCHH)	H(CCHH)	109.4393	0.011	3	109.4393	0.000	3	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(COs2CC)(H)3	H(CCHH)	H(CCHH)	C(COs2CC)(H)3	H(CCHH)	H(CCHH)	109.4477	0.035	3	109.4477	0.001	3	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CPd2CC)(H)3	H(CCHH)	H(CCHH)	C(CPd2CC)(H)3	H(CCHH)	H(CCHH)	109.4718	0.060	8	109.4718	0.004	8	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CPrCCO)(H)3	H(CCHH)	H(CCHH)	C(CPrCCO)(H)3	H(CCHH)	H(CCHH)	109.4566	0.084	11	109.4566	0.007	11	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CRu2CC)(H)3	H(CCHH)	H(CCHH)	C(CRu2CC)(H)3	H(CCHH)	H(CCHH)	109.4985	0.061	6	109.4985	0.004	6	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CRu2NN)(H)3	H(CCHH)	H(CCHH)	C(CRu2NN)(H)3	H(CCHH)	H(CCHH)	107.8575	2.222	10	107.8575	4.936	10	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CRu3C)(H)3	H(CCHH)	H(CCHH)	C(CRu3C)(H)3	H(CCHH)	H(CCHH)	109.4324	0.090	5	109.4324	0.008	5	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CTaCHH)(H)3	H(CCHH)	H(CCHH)	C(CTaCHH)(H)3	H(CCHH)	H(CCHH)	109.5060	0.081	2	109.5060	0.006	2	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CTaCHN)(H)3	H(CCHH)	H(CCHH)	C(CTaCHN)(H)3	H(CCHH)	H(CCHH)	109.4720	0.023	5	109.4720	0.001	5	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CTaCHO)(H)3	H(CCHH)	H(CCHH)	C(CTaCHO)(H)3	H(CCHH)	H(CCHH)	109.5417	0.346	6	109.5417	0.119	6	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CTaHHN)(H)3	H(CCHH)	H(CCHH)	C(CTaHHN)(H)3	H(CCHH)	H(CCHH)	108.2499	7.743	6	108.2499	59.949	6	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CTiCCN)(H)3	H(CCHH)	H(CCHH)	C(CTiCCN)(H)3	H(CCHH)	H(CCHH)	109.4638	0.026	4	109.4638	0.001	4	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CTiCHN)(H)3	H(CCHH)	H(CCHH)	C(CTiCHN)(H)3	H(CCHH)	H(CCHH)	109.4764	0.047	11	109.4764	0.002	11	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CTiCHO)(H)3	H(CCHH)	H(CCHH)	C(CTiCHO)(H)3	H(CCHH)	H(CCHH)	109.4624	0.053	5	109.4624	0.003	5	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CZrBHH)(H)3	H(CCHH)	H(CCHH)	C(CZrBHH)(H)3	H(CCHH)	H(CCHH)	109.4770	0.007	2	109.4770	0.000	2	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CZrCCN)(H)3	H(CCHH)	H(CCHH)	C(CZrCCN)(H)3	H(CCHH)	H(CCHH)	109.4410	0.027	4	109.4410	0.001	4	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C-5:H-1:H-1:H-1:	C-4:	C-4:	C(CZrCCO)(H)3	H(CCHH)	H(CCHH)	C(CZrCCO)(H)3	H(CCHH)	H(CCHH)	109.4677	0.070	10	109.4677	0.005	10	109.3233	2.713	370	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[3,3,5,4x6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Os)(H)3	H(CC[3,3,5,4x6]HH)	H(CC[3,3,5,4x6]HH)	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Os)(H)3	H(CC[3,3,5,4x6]HH)	H(CC[3,3,5,4x6]HH)	109.4700	0.095	9	109.4700	0.009	9	108.9948	3.880	17	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[3,3,5,4x6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Ru)(H)3	H(CC[3,3,5,4x6]HH)	H(CC[3,3,5,4x6]HH)	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Ru)(H)3	H(CC[3,3,5,4x6]HH)	H(CC[3,3,5,4x6]HH)	108.4603	2.871	8	108.4603	8.240	8	108.9948	3.880	17	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[3,3,5,5x6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Ir)(H)3	H(CC[3,3,5,5x6]HH)	H(CC[3,3,5,5x6]HH)	C(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Ir)(H)3	H(CC[3,3,5,5x6]HH)	H(CC[3,3,5,5x6]HH)	109.4737	0.047	18	109.4737	0.002	18	109.4740	0.002	27	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[3,3,5,5x6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Rh)(H)3	H(CC[3,3,5,5x6]HH)	H(CC[3,3,5,5x6]HH)	C(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Rh)(H)3	H(CC[3,3,5,5x6]HH)	H(CC[3,3,5,5x6]HH)	109.4747	0.035	9	109.4747	0.001	9	109.4740	0.002	27	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[3,3,5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,3,5]C[3,3,5]2C[5x3]W)(H)3	H(CC[3,3,5]HH)	H(CC[3,3,5]HH)	C(C[3,3,5]C[3,3,5]2C[5x3]W)(H)3	H(CC[3,3,5]HH)	H(CC[3,3,5]HH)	107.8176	1.382	76	107.8176	1.911	76	107.8176	1.911	76	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[3,4,3x6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]B[3,4,3x6]Co)(H)3	H(CC[3,4,3x6]HH)	H(CC[3,4,3x6]HH)	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]B[3,4,3x6]Co)(H)3	H(CC[3,4,3x6]HH)	H(CC[3,4,3x6]HH)	109.4428	0.045	8	109.4428	0.002	8	109.4730	0.003	25	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[3,4,3x6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]B[3,4,3x6]Ru)(H)3	H(CC[3,4,3x6]HH)	H(CC[3,4,3x6]HH)	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]B[3,4,3x6]Ru)(H)3	H(CC[3,4,3x6]HH)	H(CC[3,4,3x6]HH)	109.4933	0.026	3	109.4933	0.001	3	109.4730	0.003	25	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[3,4,3x6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]B[3,4,3x6]Sn)(H)3	H(CC[3,4,3x6]HH)	H(CC[3,4,3x6]HH)	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]B[3,4,3x6]Sn)(H)3	H(CC[3,4,3x6]HH)	H(CC[3,4,3x6]HH)	109.4555	0.062	2	109.4555	0.004	2	109.4730	0.003	25	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[3,4,3x6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,3x6]Co)(H)3	H(CC[3,4,3x6]HH)	H(CC[3,4,3x6]HH)	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,3x6]Co)(H)3	H(CC[3,4,3x6]HH)	H(CC[3,4,3x6]HH)	109.4940	0.060	10	109.4940	0.004	10	109.4730	0.003	25	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[3,4,3x6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,3x6]Ru)(H)3	H(CC[3,4,3x6]HH)	H(CC[3,4,3x6]HH)	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,3x6]Ru)(H)3	H(CC[3,4,3x6]HH)	H(CC[3,4,3x6]HH)	109.4760	0.011	2	109.4760	0.000	2	109.4730	0.003	25	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[3]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]2Ru2)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3]2Ru2)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4695	0.052	2	109.4695	0.003	2	109.4425	0.003	8	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[3]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]C[6]H[3]H)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3]C[6]H[3]H)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4440	0.054	3	109.4440	0.003	3	109.4425	0.003	8	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[3]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[6a]C[3]H[3]N)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[6a]C[3]H[3]N)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.4230	0.069	3	109.4230	0.005	3	109.4425	0.003	8	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[3x3,3x5,12x6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(H)3	H(CC[3x3,3x5,12x6]HH)	H(CC[3x3,3x5,12x6]HH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(H)3	H(CC[3x3,3x5,12x6]HH)	H(CC[3x3,3x5,12x6]HH)	109.4578	0.026	5	109.4578	0.001	5	109.4744	0.001	14	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[3x3,3x5,12x6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(H)3	H(CC[3x3,3x5,12x6]HH)	H(CC[3x3,3x5,12x6]HH)	C(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(H)3	H(CC[3x3,3x5,12x6]HH)	H(CC[3x3,3x5,12x6]HH)	109.4858	0.034	6	109.4858	0.001	6	109.4744	0.001	14	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[3x3,3x5,12x6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]2)(H)3	H(CC[3x3,3x5,12x6]HH)	H(CC[3x3,3x5,12x6]HH)	C(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]2)(H)3	H(CC[3x3,3x5,12x6]HH)	H(CC[3x3,3x5,12x6]HH)	109.4790	0.032	3	109.4790	0.001	3	109.4744	0.001	14	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[3x3,4,3x5,14x6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)3	H(CC[3x3,4,3x5,14x6]HH)	H(CC[3x3,4,3x5,14x6]HH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)3	H(CC[3x3,4,3x5,14x6]HH)	H(CC[3x3,4,3x5,14x6]HH)	109.1007	1.368	78	109.1007	1.872	78	109.1467	1.653	89	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[3x3,4,3x5,14x6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(H)3	H(CC[3x3,4,3x5,14x6]HH)	H(CC[3x3,4,3x5,14x6]HH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(H)3	H(CC[3x3,4,3x5,14x6]HH)	H(CC[3x3,4,3x5,14x6]HH)	109.4726	0.054	11	109.4726	0.003	11	109.1467	1.653	89	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[3x3,4,3x6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x3,4,3x6]B[4x3,4,5,5,4x6]2B[3x3,5,4x6]2)(H)3	H(CC[3x3,4,3x6]HH)	H(CC[3x3,4,3x6]HH)	C(C[3x3,4,3x6]B[4x3,4,5,5,4x6]2B[3x3,5,4x6]2)(H)3	H(CC[3x3,4,3x6]HH)	H(CC[3x3,4,3x6]HH)	109.5020	0.069	2	109.5020	0.005	2	109.5020	0.005	2	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[3x3,5,5,7x6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6])(H)3	H(CC[3x3,5,5,7x6]HH)	H(CC[3x3,5,5,7x6]HH)	C(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6])(H)3	H(CC[3x3,5,5,7x6]HH)	H(CC[3x3,5,5,7x6]HH)	109.4443	0.042	3	109.4443	0.002	3	109.4443	0.002	3	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[4,4,4x6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,4,4x6]B[3,3,4,4,5,5x6]B[3,4,3x6]2Co)(H)3	H(CC[4,4,4x6]HH)	H(CC[4,4,4x6]HH)	C(C[4,4,4x6]B[3,3,4,4,5,5x6]B[3,4,3x6]2Co)(H)3	H(CC[4,4,4x6]HH)	H(CC[4,4,4x6]HH)	109.5023	0.023	4	109.5023	0.001	4	109.4773	0.002	6	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[4,4,4x6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[4,4,4x6]B[3,3,4,4,5,5x6]B[3,4,3x6]2Ru)(H)3	H(CC[4,4,4x6]HH)	H(CC[4,4,4x6]HH)	C(C[4,4,4x6]B[3,3,4,4,5,5x6]B[3,4,3x6]2Ru)(H)3	H(CC[4,4,4x6]HH)	H(CC[4,4,4x6]HH)	109.4275	0.032	2	109.4275	0.001	2	109.4773	0.002	6	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[4]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4]2NiC)(H)3	H(CC[4]HH)	H(CC[4]HH)	C(C[4]C[4]2NiC)(H)3	H(CC[4]HH)	H(CC[4]HH)	109.3815	0.016	2	109.3815	0.000	2	109.3815	0.000	2	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[4x3,4x5,4x6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6])(H)3	H(CC[4x3,4x5,4x6]HH)	H(CC[4x3,4x5,4x6]HH)	C(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6])(H)3	H(CC[4x3,4x5,4x6]HH)	H(CC[4x3,4x5,4x6]HH)	109.4635	0.008	2	109.4635	0.000	2	109.4635	0.000	2	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]B[5]2Co2)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]B[5]2Co2)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4655	0.053	12	109.4655	0.003	12	109.4624	0.229	87	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]B[5]2CoRu)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]B[5]2CoRu)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4640	0.049	5	109.4640	0.002	5	109.4624	0.229	87	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]B[5]C[5]Co2)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]B[5]C[5]Co2)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4895	0.064	19	109.4895	0.004	19	109.4624	0.229	87	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]B[5]C[5]CoRu)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]B[5]C[5]CoRu)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4774	0.054	5	109.4774	0.003	5	109.4624	0.229	87	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3x3,4,3x5,14x6]C[5]2Ir)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3x3,4,3x5,14x6]C[5]2Ir)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4557	0.034	3	109.4557	0.001	3	109.4624	0.229	87	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[3x3,4,3x5,14x6]C[5]2Rh)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[3x3,4,3x5,14x6]C[5]2Rh)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4831	0.046	9	109.4831	0.002	9	109.4624	0.229	87	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2C[6]Zr)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2C[6]Zr)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.5440	0.051	2	109.5440	0.003	2	109.4624	0.229	87	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe2)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2Fe2)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4638	0.045	8	109.4638	0.002	8	109.4624	0.229	87	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2FeMn)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2FeMn)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4039	0.719	7	109.4039	0.517	7	109.4624	0.229	87	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2FeRu)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2FeRu)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4896	0.098	9	109.4896	0.010	9	109.4624	0.229	87	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2FeZn)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2FeZn)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.2043	2.836	3	109.2043	8.045	3	109.4624	0.229	87	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2IrC)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2IrC)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4130	0.044	2	109.4130	0.002	2	109.4624	0.229	87	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2RhH)(H)3	H(CC[5]HH)	H(CC[5]HH)	C(C[5]C[5]2RhH)(H)3	H(CC[5]HH)	H(CC[5]HH)	109.4837	0.062	3	109.4837	0.004	3	109.4624	0.229	87	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]ZrH)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[5,6]C[6]ZrH)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4765	0.033	4	109.4765	0.001	4	109.4678	0.004	21	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2CV)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2CV)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4907	0.047	6	109.4907	0.002	6	109.4678	0.004	21	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2NiO)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2NiO)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4493	0.042	3	109.4493	0.002	3	109.4678	0.004	21	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2UU)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2UU)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4173	0.114	3	109.4173	0.013	3	109.4678	0.004	21	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	C[6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Zr2)(H)3	H(CC[6]HH)	H(CC[6]HH)	C(C[6]C[6]2Zr2)(H)3	H(CC[6]HH)	H(CC[6]HH)	109.4748	0.065	5	109.4748	0.004	5	109.4678	0.004	21	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Ga-5:H-1:H-1:H-1:	C-4:	C-4:	C(GaC3Y)(H)3	H(CGaHH)	H(CGaHH)	C(GaC3Y)(H)3	H(CGaHH)	H(CGaHH)	109.4688	0.042	5	109.4688	0.002	5	109.4668	0.006	36	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Ga-5:H-1:H-1:H-1:	C-4:	C-4:	C(GaHoC3)(H)3	H(CGaHH)	H(CGaHH)	C(GaHoC3)(H)3	H(CGaHH)	H(CGaHH)	109.5190	0.013	2	109.5190	0.000	2	109.4668	0.006	36	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Ga-5:H-1:H-1:H-1:	C-4:	C-4:	C(GaLaC3)(H)3	H(CGaHH)	H(CGaHH)	C(GaLaC3)(H)3	H(CGaHH)	H(CGaHH)	109.4676	0.099	20	109.4676	0.010	20	109.4668	0.006	36	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Ga-5:H-1:H-1:H-1:	C-4:	C-4:	C(GaLuC3)(H)3	H(CGaHH)	H(CGaHH)	C(GaLuC3)(H)3	H(CGaHH)	H(CGaHH)	109.4523	0.042	9	109.4523	0.002	9	109.4668	0.006	36	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Ga[3,3,5,5,7x6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]N[6])(H)3	H(CGa[3,3,5,5,7x6]HH)	H(CGa[3,3,5,5,7x6]HH)	C(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]N[6])(H)3	H(CGa[3,3,5,5,7x6]HH)	H(CGa[3,3,5,5,7x6]HH)	109.4357	0.039	3	109.4357	0.001	3	109.4357	0.001	3	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Ga[5,6,6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(Ga[5,6,6]N[5,6]2O[6]2)(H)3	H(CGa[5,6,6]HH)	H(CGa[5,6,6]HH)	C(Ga[5,6,6]N[5,6]2O[6]2)(H)3	H(CGa[5,6,6]HH)	H(CGa[5,6,6]HH)	109.4867	0.024	3	109.4867	0.001	3	109.4867	0.001	3	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Ge-5:H-1:H-1:H-1:	C-4:	C-4:	C(GeAlC3)(H)3	H(CGeHH)	H(CGeHH)	C(GeAlC3)(H)3	H(CGeHH)	H(CGeHH)	109.5155	0.036	2	109.5155	0.001	2	109.4910	0.003	8	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Ge-5:H-1:H-1:H-1:	C-4:	C-4:	C(GeC[5]CrCC)(H)3	H(CGeHH)	H(CGeHH)	C(GeC[5]CrCC)(H)3	H(CGeHH)	H(CGeHH)	109.4852	0.073	4	109.4852	0.005	4	109.4910	0.003	8	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Ge-5:H-1:H-1:H-1:	C-4:	C-4:	C(GeC[5]TiCC)(H)3	H(CGeHH)	H(CGeHH)	C(GeC[5]TiCC)(H)3	H(CGeHH)	H(CGeHH)	109.4780	0.010	2	109.4780	0.000	2	109.4910	0.003	8	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Ge[5,3x6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(H)3	H(CGe[5,3x6]HH)	H(CGe[5,3x6]HH)	C(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(H)3	H(CGe[5,3x6]HH)	H(CGe[5,3x6]HH)	109.4433	0.039	3	109.4433	0.002	3	109.4433	0.002	3	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Ge[5,5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(Ge[5,5]O[5]2S[5]2)(H)3	H(CGe[5,5]HH)	H(CGe[5,5]HH)	C(Ge[5,5]O[5]2S[5]2)(H)3	H(CGe[5,5]HH)	H(CGe[5,5]HH)	109.4365	0.114	2	109.4365	0.013	2	109.4365	0.013	2	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	In-5:H-1:H-1:H-1:	C-4:	C-4:	C(InBaCOO)(H)3	H(CInHH)	H(CInHH)	C(InBaCOO)(H)3	H(CInHH)	H(CInHH)	109.4759	0.078	16	109.4759	0.006	16	109.4728	0.005	21	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	In-5:H-1:H-1:H-1:	C-4:	C-4:	C(InLiCOO)(H)3	H(CInHH)	H(CInHH)	C(InLiCOO)(H)3	H(CInHH)	H(CInHH)	109.4628	0.031	5	109.4628	0.001	5	109.4728	0.005	21	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	In[4,4]-5:H-1:H-1:H-1:	C-4:	C-4:	C(In[4,4]O[4]4)(H)3	H(CIn[4,4]HH)	H(CIn[4,4]HH)	C(In[4,4]O[4]4)(H)3	H(CIn[4,4]HH)	H(CIn[4,4]HH)	109.4685	0.028	2	109.4685	0.001	2	109.4685	0.001	2	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	In[5,5,6,6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(In[5,5,6,6]N[5,6]2O[5,6]2)(H)3	H(CIn[5,5,6,6]HH)	H(CIn[5,5,6,6]HH)	C(In[5,5,6,6]N[5,6]2O[5,6]2)(H)3	H(CIn[5,5,6,6]HH)	H(CIn[5,5,6,6]HH)	109.4565	0.063	2	109.4565	0.004	2	109.4565	0.004	2	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	In[5,6,6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(In[5,6,6]N[5,6]2O[6]2)(H)3	H(CIn[5,6,6]HH)	H(CIn[5,6,6]HH)	C(In[5,6,6]N[5,6]2O[6]2)(H)3	H(CIn[5,6,6]HH)	H(CIn[5,6,6]HH)	109.4900	0.061	3	109.4900	0.004	3	109.4900	0.004	3	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	N-5:H-1:H-1:H-1:	C-4:	C-4:	C(NLi3C)(H)3	H(CHHN)	H(CHHN)	C(NLi3C)(H)3	H(CHHN)	H(CHHN)	108.0076	2.480	5	108.0076	6.152	5	108.0076	6.152	5	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	N[4,4]-5:H-1:H-1:H-1:	C-4:	C-4:	C(N[4,4]C[4x4,5,5]2CH)(H)3	H(CN[4,4]HH)	H(CN[4,4]HH)	C(N[4,4]C[4x4,5,5]2CH)(H)3	H(CN[4,4]HH)	H(CN[4,4]HH)	109.4680	0.065	3	109.4680	0.004	3	109.4680	0.004	3	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Nb-5:H-1:H-1:H-1:	C-4:	C-4:	C(NbCCOO)(H)3	H(CNbHH)	H(CNbHH)	C(NbCCOO)(H)3	H(CNbHH)	H(CNbHH)	109.5007	0.063	4	109.5007	0.004	4	109.5007	0.004	4	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Nb[6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(Nb[6]N[6]2CN)(H)3	H(CNb[6]HH)	H(CNb[6]HH)	C(Nb[6]N[6]2CN)(H)3	H(CNb[6]HH)	H(CNb[6]HH)	109.4697	0.039	11	109.4697	0.002	11	109.4697	0.002	11	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	P-5:H-1:H-1:H-1:	C-4:	C-4:	C(PCCOU)(H)3	H(CHHP)	H(CHHP)	C(PCCOU)(H)3	H(CHHP)	H(CHHP)	109.4901	0.052	7	109.4901	0.003	7	109.4701	0.004	87	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	P-5:H-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2OU)(H)3	H(CHHP)	H(CHHP)	C(PC[6a]2OU)(H)3	H(CHHP)	H(CHHP)	109.4446	0.059	5	109.4446	0.004	5	109.4701	0.004	87	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	P-5:H-1:H-1:H-1:	C-4:	C-4:	C(PCeCCO)(H)3	H(CHHP)	H(CHHP)	C(PCeCCO)(H)3	H(CHHP)	H(CHHP)	109.4789	0.056	14	109.4789	0.003	14	109.4701	0.004	87	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	P-5:H-1:H-1:H-1:	C-4:	C-4:	C(PCo2Mo2)(H)3	H(CHHP)	H(CHHP)	C(PCo2Mo2)(H)3	H(CHHP)	H(CHHP)	109.4887	0.091	3	109.4887	0.008	3	109.4701	0.004	87	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	P-5:H-1:H-1:H-1:	C-4:	C-4:	C(PCuPdCC)(H)3	H(CHHP)	H(CHHP)	C(PCuPdCC)(H)3	H(CHHP)	H(CHHP)	109.4723	0.080	4	109.4723	0.006	4	109.4701	0.004	87	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	P-5:H-1:H-1:H-1:	C-4:	C-4:	C(PHfCCO)(H)3	H(CHHP)	H(CHHP)	C(PHfCCO)(H)3	H(CHHP)	H(CHHP)	109.4572	0.069	11	109.4572	0.005	11	109.4701	0.004	87	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	P-5:H-1:H-1:H-1:	C-4:	C-4:	C(PIr2CC)(H)3	H(CHHP)	H(CHHP)	C(PIr2CC)(H)3	H(CHHP)	H(CHHP)	109.5330	0.051	2	109.5330	0.003	2	109.4701	0.004	87	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	P-5:H-1:H-1:H-1:	C-4:	C-4:	C(PMgBCC)(H)3	H(CHHP)	H(CHHP)	C(PMgBCC)(H)3	H(CHHP)	H(CHHP)	109.4777	0.081	10	109.4777	0.007	10	109.4701	0.004	87	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	P-5:H-1:H-1:H-1:	C-4:	C-4:	C(PMnO3)(H)3	H(CHHP)	H(CHHP)	C(PMnO3)(H)3	H(CHHP)	H(CHHP)	109.4658	0.065	5	109.4658	0.004	5	109.4701	0.004	87	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	P-5:H-1:H-1:H-1:	C-4:	C-4:	C(PNdCCO)(H)3	H(CHHP)	H(CHHP)	C(PNdCCO)(H)3	H(CHHP)	H(CHHP)	109.4690	0.088	3	109.4690	0.008	3	109.4701	0.004	87	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	P-5:H-1:H-1:H-1:	C-4:	C-4:	C(PRh2CC)(H)3	H(CHHP)	H(CHHP)	C(PRh2CC)(H)3	H(CHHP)	H(CHHP)	109.4566	0.042	12	109.4566	0.002	12	109.4701	0.004	87	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	P-5:H-1:H-1:H-1:	C-4:	C-4:	C(PSmBCC)(H)3	H(CHHP)	H(CHHP)	C(PSmBCC)(H)3	H(CHHP)	H(CHHP)	109.4635	0.083	11	109.4635	0.007	11	109.4701	0.004	87	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	P[3,3,5,4x6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(P[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Fe)(H)3	H(CP[3,3,5,4x6]HH)	H(CP[3,3,5,4x6]HH)	C(P[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Fe)(H)3	H(CP[3,3,5,4x6]HH)	H(CP[3,3,5,4x6]HH)	109.5600	0.000	1	109.5600	0.000	1	109.5600	0.000	1	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	P[5,5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(P[5,5]C[5,6a]2O[5]2)(H)3	H(CP[5,5]HH)	H(CP[5,5]HH)	C(P[5,5]C[5,6a]2O[5]2)(H)3	H(CP[5,5]HH)	H(CP[5,5]HH)	109.4615	0.009	2	109.4615	0.000	2	109.4615	0.000	2	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiAlCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiAlCCN)(H)3	H(CSiHH)	H(CSiHH)	109.4574	0.037	10	109.4574	0.001	10	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiAlCNN)(H)3	H(CSiHH)	H(CSiHH)	C(SiAlCNN)(H)3	H(CSiHH)	H(CSiHH)	109.5030	0.006	2	109.5030	0.000	2	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiBaCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiBaCCN)(H)3	H(CSiHH)	H(CSiHH)	109.4756	0.047	8	109.4756	0.002	8	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiBaSiCO)(H)3	H(CSiHH)	H(CSiHH)	C(SiBaSiCO)(H)3	H(CSiHH)	H(CSiHH)	109.4580	0.091	25	109.4580	0.008	25	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiBiC3)(H)3	H(CSiHH)	H(CSiHH)	C(SiBiC3)(H)3	H(CSiHH)	H(CSiHH)	109.4480	0.036	6	109.4480	0.001	6	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiBiCNN)(H)3	H(CSiHH)	H(CSiHH)	C(SiBiCNN)(H)3	H(CSiHH)	H(CSiHH)	109.4820	0.051	6	109.4820	0.003	6	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC3U)(H)3	H(CSiHH)	H(CSiHH)	C(SiC3U)(H)3	H(CSiHH)	H(CSiHH)	106.7671	3.637	17	106.7671	13.225	17	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC3Y)(H)3	H(CSiHH)	H(CSiHH)	C(SiC3Y)(H)3	H(CSiHH)	H(CSiHH)	109.4496	0.057	5	109.4496	0.003	5	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiCCFF)(H)3	H(CSiHH)	H(CSiHH)	C(SiCCFF)(H)3	H(CSiHH)	H(CSiHH)	109.4660	0.046	5	109.4660	0.002	5	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiCCNU)(H)3	H(CSiHH)	H(CSiHH)	C(SiCCNU)(H)3	H(CSiHH)	H(CSiHH)	109.2806	0.957	264	109.2806	0.915	264	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiCCNV)(H)3	H(CSiHH)	H(CSiHH)	C(SiCCNV)(H)3	H(CSiHH)	H(CSiHH)	109.5254	0.076	7	109.5254	0.006	7	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiCCNW)(H)3	H(CSiHH)	H(CSiHH)	C(SiCCNW)(H)3	H(CSiHH)	H(CSiHH)	109.4901	0.074	12	109.4901	0.006	12	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiCCNY)(H)3	H(CSiHH)	H(CSiHH)	C(SiCCNY)(H)3	H(CSiHH)	H(CSiHH)	109.4651	0.083	73	109.4651	0.007	73	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiCCOU)(H)3	H(CSiHH)	H(CSiHH)	C(SiCCOU)(H)3	H(CSiHH)	H(CSiHH)	109.4752	0.074	10	109.4752	0.005	10	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiCCOW)(H)3	H(CSiHH)	H(CSiHH)	C(SiCCOW)(H)3	H(CSiHH)	H(CSiHH)	107.7197	7.195	11	107.7197	51.769	11	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiCF3)(H)3	H(CSiHH)	H(CSiHH)	C(SiCF3)(H)3	H(CSiHH)	H(CSiHH)	109.4534	0.029	5	109.4534	0.001	5	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiCHNY)(H)3	H(CSiHH)	H(CSiHH)	C(SiCHNY)(H)3	H(CSiHH)	H(CSiHH)	109.2367	1.442	35	109.2367	2.080	35	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiCNNY)(H)3	H(CSiHH)	H(CSiHH)	C(SiCNNY)(H)3	H(CSiHH)	H(CSiHH)	109.4693	0.059	9	109.4693	0.003	9	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiCNOU)(H)3	H(CSiHH)	H(CSiHH)	C(SiCNOU)(H)3	H(CSiHH)	H(CSiHH)	109.3727	0.450	12	109.3727	0.202	12	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]2CU)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]2CU)(H)3	H(CSiHH)	H(CSiHH)	109.4574	0.149	5	109.4574	0.022	5	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]2CW)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]2CW)(H)3	H(CSiHH)	H(CSiHH)	109.4503	0.042	3	109.4503	0.002	3	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]2CY)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]2CY)(H)3	H(CSiHH)	H(CSiHH)	108.5032	1.224	5	108.5032	1.498	5	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]2ClFe)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]2ClFe)(H)3	H(CSiHH)	H(CSiHH)	109.4705	0.037	2	109.4705	0.001	2	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]2EuC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]2EuC)(H)3	H(CSiHH)	H(CSiHH)	109.4817	0.073	6	109.4817	0.005	6	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]2FeC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]2FeC)(H)3	H(CSiHH)	H(CSiHH)	109.4642	0.056	29	109.4642	0.003	29	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]2FeO)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]2FeO)(H)3	H(CSiHH)	H(CSiHH)	109.4650	0.059	3	109.4650	0.003	3	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]2HfC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]2HfC)(H)3	H(CSiHH)	H(CSiHH)	109.4691	0.056	22	109.4691	0.003	22	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]2LuC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]2LuC)(H)3	H(CSiHH)	H(CSiHH)	108.7953	5.762	3	108.7953	33.203	3	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]2TiC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]2TiC)(H)3	H(CSiHH)	H(CSiHH)	108.9490	4.163	36	108.9490	17.329	36	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]2ZrC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]2ZrC)(H)3	H(CSiHH)	H(CSiHH)	109.3314	1.114	168	109.3314	1.242	168	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]3Fe)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]3Fe)(H)3	H(CSiHH)	H(CSiHH)	109.4560	0.051	9	109.4560	0.003	9	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]AlCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]AlCN)(H)3	H(CSiHH)	H(CSiHH)	109.4850	0.006	2	109.4850	0.000	2	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]CCU)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]CCU)(H)3	H(CSiHH)	H(CSiHH)	109.4520	0.027	3	109.4520	0.001	3	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]CCY)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]CCY)(H)3	H(CSiHH)	H(CSiHH)	109.4362	0.037	5	109.4362	0.001	5	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]CrCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]CrCN)(H)3	H(CSiHH)	H(CSiHH)	109.4794	0.046	12	109.4794	0.002	12	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]FeCC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]FeCC)(H)3	H(CSiHH)	H(CSiHH)	109.5170	0.029	4	109.5170	0.001	4	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]HfCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]HfCN)(H)3	H(CSiHH)	H(CSiHH)	109.4800	0.041	13	109.4800	0.002	13	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]MoPtC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]MoPtC)(H)3	H(CSiHH)	H(CSiHH)	109.4738	0.052	6	109.4738	0.003	6	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]N[5]CY)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]N[5]CY)(H)3	H(CSiHH)	H(CSiHH)	109.4470	0.054	2	109.4470	0.003	2	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]N[5]LuC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]N[5]LuC)(H)3	H(CSiHH)	H(CSiHH)	109.5105	0.050	4	109.5105	0.002	4	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]N[5]ScC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]N[5]ScC)(H)3	H(CSiHH)	H(CSiHH)	109.4783	0.092	4	109.4783	0.008	4	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]N[5]YbC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]N[5]YbC)(H)3	H(CSiHH)	H(CSiHH)	109.4970	0.041	4	109.4970	0.002	4	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]SbCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]SbCN)(H)3	H(CSiHH)	H(CSiHH)	105.7973	4.018	12	105.7973	16.148	12	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]ScCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]ScCN)(H)3	H(CSiHH)	H(CSiHH)	109.4715	0.050	11	109.4715	0.002	11	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]SmCC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]SmCC)(H)3	H(CSiHH)	H(CSiHH)	109.4677	0.019	4	109.4677	0.000	4	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]TiCC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]TiCC)(H)3	H(CSiHH)	H(CSiHH)	109.4663	0.032	8	109.4663	0.001	8	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]TiCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]TiCN)(H)3	H(CSiHH)	H(CSiHH)	109.0549	1.893	55	109.0549	3.582	55	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]TiCO)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]TiCO)(H)3	H(CSiHH)	H(CSiHH)	109.4905	0.065	41	109.4905	0.004	41	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]TiOO)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]TiOO)(H)3	H(CSiHH)	H(CSiHH)	109.1855	1.587	17	109.1855	2.517	17	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]ZrCC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]ZrCC)(H)3	H(CSiHH)	H(CSiHH)	109.4641	0.062	14	109.4641	0.004	14	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5]ZrCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5]ZrCN)(H)3	H(CSiHH)	H(CSiHH)	109.4675	0.054	70	109.4675	0.003	70	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[5a]TiCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[5a]TiCN)(H)3	H(CSiHH)	H(CSiHH)	109.4607	0.104	6	109.4607	0.011	6	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6]2FeC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6]2FeC)(H)3	H(CSiHH)	H(CSiHH)	109.4833	0.039	3	109.4833	0.002	3	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6]2PtO)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6]2PtO)(H)3	H(CSiHH)	H(CSiHH)	109.4967	0.042	8	109.4967	0.002	8	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6]CrCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6]CrCN)(H)3	H(CSiHH)	H(CSiHH)	109.4340	0.014	2	109.4340	0.000	2	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6]CuCC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6]CuCC)(H)3	H(CSiHH)	H(CSiHH)	108.4616	8.444	11	108.4616	71.297	11	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6]MgCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6]MgCN)(H)3	H(CSiHH)	H(CSiHH)	109.4382	0.036	5	109.4382	0.001	5	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2CoN)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]2CoN)(H)3	H(CSiHH)	H(CSiHH)	109.4858	0.041	5	109.4858	0.002	5	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2CuH)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]2CuH)(H)3	H(CSiHH)	H(CSiHH)	109.5000	0.016	4	109.5000	0.000	4	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2NiH)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]2NiH)(H)3	H(CSiHH)	H(CSiHH)	109.4274	0.039	5	109.4274	0.002	5	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2PdH)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]2PdH)(H)3	H(CSiHH)	H(CSiHH)	109.4870	0.066	3	109.4870	0.004	3	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CCV)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]CCV)(H)3	H(CSiHH)	H(CSiHH)	109.4743	0.039	3	109.4743	0.002	3	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]C[5]2Fe)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]C[5]2Fe)(H)3	H(CSiHH)	H(CSiHH)	109.4577	0.072	3	109.4577	0.005	3	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CrCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]CrCN)(H)3	H(CSiHH)	H(CSiHH)	109.4880	0.032	5	109.4880	0.001	5	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]CuSiC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]CuSiC)(H)3	H(CSiHH)	H(CSiHH)	109.4610	0.049	11	109.4610	0.002	11	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]MgCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]MgCN)(H)3	H(CSiHH)	H(CSiHH)	109.4530	0.061	3	109.4530	0.004	3	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]Pd2H)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]Pd2H)(H)3	H(CSiHH)	H(CSiHH)	109.4603	0.257	3	109.4603	0.066	3	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]TeCC)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]TeCC)(H)3	H(CSiHH)	H(CSiHH)	109.4693	0.053	4	109.4693	0.003	4	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]TiCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]TiCN)(H)3	H(CSiHH)	H(CSiHH)	109.4703	0.045	12	109.4703	0.002	12	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]ZrCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiC[6a]ZrCN)(H)3	H(CSiHH)	H(CSiHH)	109.4798	0.088	25	109.4798	0.008	25	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiCaCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiCaCCN)(H)3	H(CSiHH)	H(CSiHH)	109.1722	1.722	95	109.1722	2.966	95	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiCaCNN)(H)3	H(CSiHH)	H(CSiHH)	C(SiCaCNN)(H)3	H(CSiHH)	H(CSiHH)	109.4826	0.141	5	109.4826	0.020	5	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiCeC3)(H)3	H(CSiHH)	H(CSiHH)	C(SiCeC3)(H)3	H(CSiHH)	H(CSiHH)	109.4805	0.064	33	109.4805	0.004	33	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiCeCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiCeCCN)(H)3	H(CSiHH)	H(CSiHH)	109.4659	0.053	47	109.4659	0.003	47	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiCeCCO)(H)3	H(CSiHH)	H(CSiHH)	C(SiCeCCO)(H)3	H(CSiHH)	H(CSiHH)	109.4606	0.062	10	109.4606	0.004	10	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiCeCHN)(H)3	H(CSiHH)	H(CSiHH)	C(SiCeCHN)(H)3	H(CSiHH)	H(CSiHH)	109.4696	0.059	16	109.4696	0.004	16	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiClMoHN)(H)3	H(CSiHH)	H(CSiHH)	C(SiClMoHN)(H)3	H(CSiHH)	H(CSiHH)	109.5015	0.110	2	109.5015	0.012	2	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiCoCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiCoCCN)(H)3	H(CSiHH)	H(CSiHH)	109.4717	0.060	19	109.4717	0.004	19	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiCoCNN)(H)3	H(CSiHH)	H(CSiHH)	C(SiCoCNN)(H)3	H(CSiHH)	H(CSiHH)	109.4388	0.056	17	109.4388	0.003	17	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiCrCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiCrCCN)(H)3	H(CSiHH)	H(CSiHH)	109.4556	0.055	22	109.4556	0.003	22	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiCrCNN)(H)3	H(CSiHH)	H(CSiHH)	C(SiCrCNN)(H)3	H(CSiHH)	H(CSiHH)	109.4683	0.069	18	109.4683	0.005	18	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiCuC3)(H)3	H(CSiHH)	H(CSiHH)	C(SiCuC3)(H)3	H(CSiHH)	H(CSiHH)	107.1669	1.399	18	107.1669	1.956	18	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiDyC3)(H)3	H(CSiHH)	H(CSiHH)	C(SiDyC3)(H)3	H(CSiHH)	H(CSiHH)	109.4453	0.039	4	109.4453	0.002	4	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiDyCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiDyCCN)(H)3	H(CSiHH)	H(CSiHH)	109.4771	0.053	13	109.4771	0.003	13	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiErCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiErCCN)(H)3	H(CSiHH)	H(CSiHH)	109.4461	0.183	40	109.4461	0.033	40	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiEuCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiEuCCN)(H)3	H(CSiHH)	H(CSiHH)	109.5060	0.034	4	109.5060	0.001	4	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiEuCHN)(H)3	H(CSiHH)	H(CSiHH)	C(SiEuCHN)(H)3	H(CSiHH)	H(CSiHH)	109.4769	0.062	19	109.4769	0.004	19	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiEuSiOO)(H)3	H(CSiHH)	H(CSiHH)	C(SiEuSiOO)(H)3	H(CSiHH)	H(CSiHH)	109.5103	0.056	3	109.5103	0.003	3	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiF4)(H)3	H(CSiHH)	H(CSiHH)	C(SiF4)(H)3	H(CSiHH)	H(CSiHH)	109.4272	0.079	6	109.4272	0.006	6	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiFeCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiFeCCN)(H)3	H(CSiHH)	H(CSiHH)	109.4905	0.035	4	109.4905	0.001	4	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiFeCNN)(H)3	H(CSiHH)	H(CSiHH)	C(SiFeCNN)(H)3	H(CSiHH)	H(CSiHH)	109.4914	0.075	8	109.4914	0.006	8	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiFeCSS)(H)3	H(CSiHH)	H(CSiHH)	C(SiFeCSS)(H)3	H(CSiHH)	H(CSiHH)	109.4982	0.138	5	109.4982	0.019	5	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiGdCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiGdCCN)(H)3	H(CSiHH)	H(CSiHH)	109.4697	0.037	10	109.4697	0.001	10	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiHfCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiHfCCN)(H)3	H(CSiHH)	H(CSiHH)	109.4788	0.063	84	109.4788	0.004	84	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiHfCNN)(H)3	H(CSiHH)	H(CSiHH)	C(SiHfCNN)(H)3	H(CSiHH)	H(CSiHH)	109.4967	0.093	3	109.4967	0.009	3	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiHoC3)(H)3	H(CSiHH)	H(CSiHH)	C(SiHoC3)(H)3	H(CSiHH)	H(CSiHH)	109.4870	0.052	9	109.4870	0.003	9	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiIrCNN)(H)3	H(CSiHH)	H(CSiHH)	C(SiIrCNN)(H)3	H(CSiHH)	H(CSiHH)	109.4837	0.061	23	109.4837	0.004	23	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiLaCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiLaCCN)(H)3	H(CSiHH)	H(CSiHH)	108.7253	2.292	67	108.7253	5.254	67	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiLiC3)(H)3	H(CSiHH)	H(CSiHH)	C(SiLiC3)(H)3	H(CSiHH)	H(CSiHH)	108.0395	2.323	12	108.0395	5.396	12	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiLiCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiLiCCN)(H)3	H(CSiHH)	H(CSiHH)	109.0061	2.430	35	109.0061	5.904	35	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiLiCCO)(H)3	H(CSiHH)	H(CSiHH)	C(SiLiCCO)(H)3	H(CSiHH)	H(CSiHH)	109.4192	0.069	6	109.4192	0.005	6	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiLiCNN)(H)3	H(CSiHH)	H(CSiHH)	C(SiLiCNN)(H)3	H(CSiHH)	H(CSiHH)	109.4568	0.057	30	109.4568	0.003	30	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiLiN3)(H)3	H(CSiHH)	H(CSiHH)	C(SiLiN3)(H)3	H(CSiHH)	H(CSiHH)	109.5105	0.056	2	109.5105	0.003	2	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiLiSiCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiLiSiCN)(H)3	H(CSiHH)	H(CSiHH)	109.4582	0.054	4	109.4582	0.003	4	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiLuCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiLuCCN)(H)3	H(CSiHH)	H(CSiHH)	109.4630	0.067	11	109.4630	0.005	11	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiLuCHN)(H)3	H(CSiHH)	H(CSiHH)	C(SiLuCHN)(H)3	H(CSiHH)	H(CSiHH)	109.4002	7.119	6	109.4002	50.678	6	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiMgCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiMgCCN)(H)3	H(CSiHH)	H(CSiHH)	109.4770	0.049	84	109.4770	0.002	84	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiMgCCO)(H)3	H(CSiHH)	H(CSiHH)	C(SiMgCCO)(H)3	H(CSiHH)	H(CSiHH)	109.4977	0.061	3	109.4977	0.004	3	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiMgCNN)(H)3	H(CSiHH)	H(CSiHH)	C(SiMgCNN)(H)3	H(CSiHH)	H(CSiHH)	109.4872	0.066	21	109.4872	0.004	21	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiMoCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiMoCCN)(H)3	H(CSiHH)	H(CSiHH)	109.4720	0.018	3	109.4720	0.000	3	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiMoCHN)(H)3	H(CSiHH)	H(CSiHH)	C(SiMoCHN)(H)3	H(CSiHH)	H(CSiHH)	109.4497	0.043	8	109.4497	0.002	8	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiN[6]2ClH)(H)3	H(CSiHH)	H(CSiHH)	C(SiN[6]2ClH)(H)3	H(CSiHH)	H(CSiHH)	109.4744	0.029	5	109.4744	0.001	5	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiN[6]2CuC)(H)3	H(CSiHH)	H(CSiHH)	C(SiN[6]2CuC)(H)3	H(CSiHH)	H(CSiHH)	109.4596	0.055	5	109.4596	0.003	5	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiN[6]LiCO)(H)3	H(CSiHH)	H(CSiHH)	C(SiN[6]LiCO)(H)3	H(CSiHH)	H(CSiHH)	109.4660	0.024	3	109.4660	0.001	3	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiNdCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiNdCCN)(H)3	H(CSiHH)	H(CSiHH)	109.4808	0.078	6	109.4808	0.006	6	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiNiC3)(H)3	H(CSiHH)	H(CSiHH)	C(SiNiC3)(H)3	H(CSiHH)	H(CSiHH)	109.5020	0.024	2	109.5020	0.001	2	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiNiCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiNiCCN)(H)3	H(CSiHH)	H(CSiHH)	109.4615	0.055	4	109.4615	0.003	4	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiNiCNN)(H)3	H(CSiHH)	H(CSiHH)	C(SiNiCNN)(H)3	H(CSiHH)	H(CSiHH)	109.4895	0.051	6	109.4895	0.003	6	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiPdC3)(H)3	H(CSiHH)	H(CSiHH)	C(SiPdC3)(H)3	H(CSiHH)	H(CSiHH)	109.4774	0.028	7	109.4774	0.001	7	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiPuCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiPuCCN)(H)3	H(CSiHH)	H(CSiHH)	109.4651	0.062	8	109.4651	0.004	8	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiReCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiReCCN)(H)3	H(CSiHH)	H(CSiHH)	109.4933	0.024	3	109.4933	0.001	3	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiRhCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiRhCCN)(H)3	H(CSiHH)	H(CSiHH)	109.4723	0.052	6	109.4723	0.003	6	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiRu2CC)(H)3	H(CSiHH)	H(CSiHH)	C(SiRu2CC)(H)3	H(CSiHH)	H(CSiHH)	109.4730	0.014	2	109.4730	0.000	2	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiRuCCO)(H)3	H(CSiHH)	H(CSiHH)	C(SiRuCCO)(H)3	H(CSiHH)	H(CSiHH)	109.4435	0.023	4	109.4435	0.001	4	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiRuCHN)(H)3	H(CSiHH)	H(CSiHH)	C(SiRuCHN)(H)3	H(CSiHH)	H(CSiHH)	109.4723	0.120	8	109.4723	0.015	8	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiScCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiScCCN)(H)3	H(CSiHH)	H(CSiHH)	109.4843	0.051	35	109.4843	0.003	35	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiScCHN)(H)3	H(CSiHH)	H(CSiHH)	C(SiScCHN)(H)3	H(CSiHH)	H(CSiHH)	109.4855	0.031	6	109.4855	0.001	6	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiSi3Zr)(H)3	H(CSiHH)	H(CSiHH)	C(SiSi3Zr)(H)3	H(CSiHH)	H(CSiHH)	118.2040	0.000	1	118.2040	0.000	1	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiSiSmCO)(H)3	H(CSiHH)	H(CSiHH)	C(SiSiSmCO)(H)3	H(CSiHH)	H(CSiHH)	109.4837	0.049	6	109.4837	0.002	6	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiSiZrCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiSiZrCN)(H)3	H(CSiHH)	H(CSiHH)	109.4600	0.093	5	109.4600	0.009	5	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiSmC3)(H)3	H(CSiHH)	H(CSiHH)	C(SiSmC3)(H)3	H(CSiHH)	H(CSiHH)	109.5190	0.065	10	109.5190	0.004	10	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiSmCCH)(H)3	H(CSiHH)	H(CSiHH)	C(SiSmCCH)(H)3	H(CSiHH)	H(CSiHH)	109.4812	0.059	11	109.4812	0.003	11	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiSmCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiSmCCN)(H)3	H(CSiHH)	H(CSiHH)	109.4662	0.089	68	109.4662	0.008	68	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiSmCNN)(H)3	H(CSiHH)	H(CSiHH)	C(SiSmCNN)(H)3	H(CSiHH)	H(CSiHH)	109.5220	0.113	5	109.5220	0.013	5	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiSnCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiSnCCN)(H)3	H(CSiHH)	H(CSiHH)	109.4550	0.073	12	109.4550	0.005	12	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiSrCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiSrCCN)(H)3	H(CSiHH)	H(CSiHH)	109.4707	0.047	25	109.4707	0.002	25	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiSrCHN)(H)3	H(CSiHH)	H(CSiHH)	C(SiSrCHN)(H)3	H(CSiHH)	H(CSiHH)	109.4950	0.029	5	109.4950	0.001	5	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiSrCNN)(H)3	H(CSiHH)	H(CSiHH)	C(SiSrCNN)(H)3	H(CSiHH)	H(CSiHH)	109.4682	0.059	9	109.4682	0.003	9	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiTaC3)(H)3	H(CSiHH)	H(CSiHH)	C(SiTaC3)(H)3	H(CSiHH)	H(CSiHH)	109.4562	0.039	6	109.4562	0.002	6	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiTaCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiTaCCN)(H)3	H(CSiHH)	H(CSiHH)	109.4561	0.062	20	109.4561	0.004	20	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiThC3)(H)3	H(CSiHH)	H(CSiHH)	C(SiThC3)(H)3	H(CSiHH)	H(CSiHH)	109.4994	0.068	8	109.4994	0.005	8	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiThCCH)(H)3	H(CSiHH)	H(CSiHH)	C(SiThCCH)(H)3	H(CSiHH)	H(CSiHH)	109.4872	0.070	5	109.4872	0.005	5	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiThCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiThCCN)(H)3	H(CSiHH)	H(CSiHH)	109.4694	0.059	20	109.4694	0.003	20	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiThCCO)(H)3	H(CSiHH)	H(CSiHH)	C(SiThCCO)(H)3	H(CSiHH)	H(CSiHH)	109.4613	0.029	3	109.4613	0.001	3	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiThCNN)(H)3	H(CSiHH)	H(CSiHH)	C(SiThCNN)(H)3	H(CSiHH)	H(CSiHH)	109.4837	0.037	6	109.4837	0.001	6	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiThCNO)(H)3	H(CSiHH)	H(CSiHH)	C(SiThCNO)(H)3	H(CSiHH)	H(CSiHH)	109.4575	0.069	8	109.4575	0.005	8	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiTiCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiTiCCN)(H)3	H(CSiHH)	H(CSiHH)	108.9884	1.027	122	108.9884	1.055	122	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiTiCNN)(H)3	H(CSiHH)	H(CSiHH)	C(SiTiCNN)(H)3	H(CSiHH)	H(CSiHH)	109.4920	0.097	21	109.4920	0.009	21	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiYbC3)(H)3	H(CSiHH)	H(CSiHH)	C(SiYbC3)(H)3	H(CSiHH)	H(CSiHH)	109.4698	0.078	4	109.4698	0.006	4	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiYbCCH)(H)3	H(CSiHH)	H(CSiHH)	C(SiYbCCH)(H)3	H(CSiHH)	H(CSiHH)	109.4680	0.051	12	109.4680	0.003	12	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiYbCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiYbCCN)(H)3	H(CSiHH)	H(CSiHH)	109.4712	0.081	55	109.4712	0.007	55	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiYbCHN)(H)3	H(CSiHH)	H(CSiHH)	C(SiYbCHN)(H)3	H(CSiHH)	H(CSiHH)	109.4716	0.059	10	109.4716	0.004	10	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiZnCNN)(H)3	H(CSiHH)	H(CSiHH)	C(SiZnCNN)(H)3	H(CSiHH)	H(CSiHH)	109.4583	0.019	4	109.4583	0.000	4	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiZrC3)(H)3	H(CSiHH)	H(CSiHH)	C(SiZrC3)(H)3	H(CSiHH)	H(CSiHH)	109.4624	0.063	5	109.4624	0.004	5	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiZrCCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiZrCCN)(H)3	H(CSiHH)	H(CSiHH)	109.2705	1.695	229	109.2705	2.873	229	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiZrCHN)(H)3	H(CSiHH)	H(CSiHH)	C(SiZrCHN)(H)3	H(CSiHH)	H(CSiHH)	109.4907	0.043	15	109.4907	0.002	15	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiZrCNN)(H)3	H(CSiHH)	H(CSiHH)	C(SiZrCNN)(H)3	H(CSiHH)	H(CSiHH)	109.4412	0.036	5	109.4412	0.001	5	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si-5:H-1:H-1:H-1:	C-4:	C-4:	C(SiZrCNO)(H)3	H(CSiHH)	H(CSiHH)	C(SiZrCNO)(H)3	H(CSiHH)	H(CSiHH)	109.4714	0.050	7	109.4714	0.002	7	109.2958	1.937	2886	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si[5,5,6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5,5,6]N[5,6]2O[5]2)(H)3	H(CSi[5,5,6]HH)	H(CSi[5,5,6]HH)	C(Si[5,5,6]N[5,6]2O[5]2)(H)3	H(CSi[5,5,6]HH)	H(CSi[5,5,6]HH)	105.7694	4.284	9	105.7694	18.355	9	105.7694	18.355	9	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si[5,5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5,5]C[5]2O[5]2)(H)3	H(CSi[5,5]HH)	H(CSi[5,5]HH)	C(Si[5,5]C[5]2O[5]2)(H)3	H(CSi[5,5]HH)	H(CSi[5,5]HH)	109.4705	0.041	14	109.4705	0.002	14	109.1769	0.876	34	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si[5,5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5,5]N[5,5]N[5,6]S[5]O)(H)3	H(CSi[5,5]HH)	H(CSi[5,5]HH)	C(Si[5,5]N[5,5]N[5,6]S[5]O)(H)3	H(CSi[5,5]HH)	H(CSi[5,5]HH)	109.4605	0.018	2	109.4605	0.000	2	109.1769	0.876	34	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si[5,5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5,5]N[5,5]O[5]2C)(H)3	H(CSi[5,5]HH)	H(CSi[5,5]HH)	C(Si[5,5]N[5,5]O[5]2C)(H)3	H(CSi[5,5]HH)	H(CSi[5,5]HH)	107.7547	1.681	6	107.7547	2.826	6	109.1769	0.876	34	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si[5,5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5,5]N[5,5a]N[5,5]C[6a]O[5])(H)3	H(CSi[5,5]HH)	H(CSi[5,5]HH)	C(Si[5,5]N[5,5a]N[5,5]C[6a]O[5])(H)3	H(CSi[5,5]HH)	H(CSi[5,5]HH)	109.4944	0.028	5	109.4944	0.001	5	109.1769	0.876	34	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si[5,5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5,5]N[5]2O[5]2)(H)3	H(CSi[5,5]HH)	H(CSi[5,5]HH)	C(Si[5,5]N[5]2O[5]2)(H)3	H(CSi[5,5]HH)	H(CSi[5,5]HH)	109.5012	0.044	4	109.5012	0.002	4	109.1769	0.876	34	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si[5,5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5,5]Si[5,5]O[5]2O)(H)3	H(CSi[5,5]HH)	H(CSi[5,5]HH)	C(Si[5,5]Si[5,5]O[5]2O)(H)3	H(CSi[5,5]HH)	H(CSi[5,5]HH)	109.5003	0.075	3	109.5003	0.006	3	109.1769	0.876	34	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si[5,6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5,6]N[5,6]O[5]O[6]C)(H)3	H(CSi[5,6]HH)	H(CSi[5,6]HH)	C(Si[5,6]N[5,6]O[5]O[6]C)(H)3	H(CSi[5,6]HH)	H(CSi[5,6]HH)	109.4854	0.046	7	109.4854	0.002	7	109.4833	0.002	9	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si[5,6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5,6]N[5,6]Si[5]O[5]O[6])(H)3	H(CSi[5,6]HH)	H(CSi[5,6]HH)	C(Si[5,6]N[5,6]Si[5]O[5]O[6])(H)3	H(CSi[5,6]HH)	H(CSi[5,6]HH)	109.4760	0.076	2	109.4760	0.006	2	109.4833	0.002	9	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si[5]-5:Cl-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5]O[5]CF)(Cl)(H)2	H(CSi[5]ClH)	H(CSi[5]ClH)	C(Si[5]C[5]O[5]CF)(Cl)(H)2	H(CSi[5]ClH)	H(CSi[5]ClH)	107.9380	0.000	1	107.9380	0.000	1	107.9088	0.093	5	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si[5]-5:Cl-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5]O[5]CO)(Cl)(H)2	H(CSi[5]ClH)	H(CSi[5]ClH)	C(Si[5]C[5]O[5]CO)(Cl)(H)2	H(CSi[5]ClH)	H(CSi[5]ClH)	107.6350	0.281	2	107.6350	0.079	2	107.9088	0.093	5	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si[5]-5:Cl-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5]O[5]ClC)(Cl)(H)2	H(CSi[5]ClH)	H(CSi[5]ClH)	C(Si[5]C[5]O[5]ClC)(Cl)(H)2	H(CSi[5]ClH)	H(CSi[5]ClH)	108.1680	0.081	2	108.1680	0.006	2	107.9088	0.093	5	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si[5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5]N[5]Cl2)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[5]N[5]Cl2)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4405	0.019	4	109.4405	0.000	4	109.2162	2.037	113	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si[5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5]N[5]DyC)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[5]N[5]DyC)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4771	0.060	11	109.4771	0.004	11	109.2162	2.037	113	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si[5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5]N[5]EuC)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[5]N[5]EuC)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4769	0.094	15	109.4769	0.009	15	109.2162	2.037	113	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si[5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5]N[5]HoC)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[5]N[5]HoC)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4893	0.082	11	109.4893	0.007	11	109.2162	2.037	113	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si[5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5]N[5]TbC)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[5]N[5]TbC)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4885	0.081	14	109.4885	0.007	14	109.2162	2.037	113	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si[5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5]O[5]CF)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[5]O[5]CF)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4840	0.038	4	109.4840	0.001	4	109.2162	2.037	113	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si[5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5]O[5]CO)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[5]O[5]CO)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4686	0.043	20	109.4686	0.002	20	109.2162	2.037	113	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si[5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5]O[5]ClC)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]C[5]O[5]ClC)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.2344	2.690	11	109.2344	7.239	11	109.2162	2.037	113	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si[5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]N[5,6]2CO)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]N[5,6]2CO)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	109.4383	0.007	3	109.4383	0.000	3	109.2162	2.037	113	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si[5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]O[5]2CF)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]O[5]2CF)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	107.9649	2.407	14	107.9649	5.795	14	109.2162	2.037	113	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si[5]-5:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5]O[5]2ClC)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	C(Si[5]O[5]2ClC)(H)3	H(CSi[5]HH)	H(CSi[5]HH)	108.5555	3.162	6	108.5555	10.000	6	109.2162	2.037	113	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:1:1:1:	4:	4:	Si[6]-5:H-1:H-1:H-1:	C-4:	C-4:	C(Si[6]C[5,6]2ZrC)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	C(Si[6]C[5,6]2ZrC)(H)3	H(CSi[6]HH)	H(CSi[6]HH)	108.7017	3.452	44	108.7017	11.918	44	108.7017	11.918	44	109.2663	1.992	4134	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:2:1:1:	4:	4:	C-5:C-2:H-1:H-1:	C-4:	C-4:	C(CC[6]PdCH)(CH)(H)2	H(CCCH)	H(CCCH)	C(CC[6]PdCH)(CH)(H)2	H(CCCH)	H(CCCH)	115.0540	0.000	1	115.0540	0.000	1	111.2555	28.857	2	110.0676	10.847	5	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:2:1:1:	4:	4:	C-5:C-2:H-1:H-1:	C-4:	C-4:	C(CFe3C)(CN)(H)2	H(CCCH)	H(CCCH)	C(CFe3C)(CN)(H)2	H(CCCH)	H(CCCH)	107.4570	0.000	1	107.4570	0.000	1	111.2555	28.857	2	110.0676	10.847	5	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:2:1:1:	4:	4:	C-5:O-2:H-1:H-1:	C-4:	C-4:	C(CCo2RuC)(OC)(H)2	H(CCHO)	H(CCHO)	C(CCo2RuC)(OC)(H)2	H(CCHO)	H(CCHO)	108.0090	0.000	1	108.0090	0.000	1	107.9960	0.000	2	110.0676	10.847	5	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:2:1:1:	4:	4:	C-5:O-2:H-1:H-1:	C-4:	C-4:	C(CRu3C)(OC)(H)2	H(CCHO)	H(CCHO)	C(CRu3C)(OC)(H)2	H(CCHO)	H(CCHO)	107.9830	0.000	1	107.9830	0.000	1	107.9960	0.000	2	110.0676	10.847	5	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:2:1:1:	4:	4:	C[3x3,4,3x5,14x6]-5:N-2:H-1:H-1:	C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NS)(H)2	H(CC[3x3,4,3x5,14x6]HN)	H(CC[3x3,4,3x5,14x6]HN)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NS)(H)2	H(CC[3x3,4,3x5,14x6]HN)	H(CC[3x3,4,3x5,14x6]HN)	111.8350	0.000	1	111.8350	0.000	1	111.8350	0.000	1	110.0676	10.847	5	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:3:1:1:	4:	4:	As[5,5]-5:C-3:H-1:H-1:	C-4:	C-4:	C(As[5,5]C[5,6a]2O[5]2)(CC[6a]O)(H)2	H(CAs[5,5]CH)	H(CAs[5,5]CH)	C(As[5,5]C[5,6a]2O[5]2)(CC[6a]O)(H)2	H(CAs[5,5]CH)	H(CAs[5,5]CH)	107.8130	0.061	2	107.8130	0.004	2	107.8130	0.004	2	107.9112	1.980	53	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:3:1:1:	4:	4:	B[4x3,4,4]-5:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(B[4x3,4,4]B[4x3,4,4]2B[6x3,4,4]2)(C[6a]C[6a]2)(H)2	H(CB[4x3,4,4]C[6a]H)	H(CB[4x3,4,4]C[6a]H)	C(B[4x3,4,4]B[4x3,4,4]2B[6x3,4,4]2)(C[6a]C[6a]2)(H)2	H(CB[4x3,4,4]C[6a]H)	H(CB[4x3,4,4]C[6a]H)	107.7554	0.168	5	107.7554	0.028	5	107.7554	0.028	5	107.9112	1.980	53	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:3:1:1:	4:	4:	B[5]-5:C[6]-3:H-1:H-1:	C-4:	C-4:	C(B[5]O[5]2RuH)(C[6]C[6]N[6])(H)2	H(CB[5]C[6]H)	H(CB[5]C[6]H)	C(B[5]O[5]2RuH)(C[6]C[6]N[6])(H)2	H(CB[5]C[6]H)	H(CB[5]C[6]H)	107.9150	0.000	1	107.9150	0.000	1	107.9150	0.000	1	107.9112	1.980	53	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:3:1:1:	4:	4:	C-5:C-3:H-1:H-1:	C-4:	C-4:	C(CCCOU)(COO)(H)2	H(CCCH)	H(CCCH)	C(CCCOU)(COO)(H)2	H(CCCH)	H(CCCH)	107.3010	0.153	2	107.3010	0.023	2	107.3010	0.023	2	107.9112	1.980	53	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:3:1:1:	4:	4:	C-5:N-3:H-1:H-1:	C-4:	C-4:	C(CCHOO)(NCC)(H)2	H(CCHN)	H(CCHN)	C(CCHOO)(NCC)(H)2	H(CCHN)	H(CCHN)	109.5610	0.000	1	109.5610	0.000	1	108.7940	1.177	2	107.9112	1.980	53	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:3:1:1:	4:	4:	C-5:N-3:H-1:H-1:	C-4:	C-4:	C(CCaHHN)(NCaC)(H)2	H(CCHN)	H(CCHN)	C(CCaHHN)(NCaC)(H)2	H(CCHN)	H(CCHN)	108.0270	0.000	1	108.0270	0.000	1	108.7940	1.177	2	107.9112	1.980	53	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:3:1:1:	4:	4:	C-5:O-3:H-1:H-1:	C-4:	C-4:	C(CBaHHO)(OBaC)(H)2	H(CCHO)	H(CCHO)	C(CBaHHO)(OBaC)(H)2	H(CCHO)	H(CCHO)	108.7045	0.078	2	108.7045	0.006	2	108.4323	0.117	10	107.9112	1.980	53	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:3:1:1:	4:	4:	C-5:O-3:H-1:H-1:	C-4:	C-4:	C(CEuHHN)(OEuSi)(H)2	H(CCHO)	H(CCHO)	C(CEuHHN)(OEuSi)(H)2	H(CCHO)	H(CCHO)	108.1960	0.000	1	108.1960	0.000	1	108.4323	0.117	10	107.9112	1.980	53	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:3:1:1:	4:	4:	C-5:O-3:H-1:H-1:	C-4:	C-4:	C(CHHOV)(OCV)(H)2	H(CCHO)	H(CCHO)	C(CHHOV)(OCV)(H)2	H(CCHO)	H(CCHO)	108.7233	0.118	3	108.7233	0.014	3	108.4323	0.117	10	107.9112	1.980	53	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:3:1:1:	4:	4:	C-5:O-3:H-1:H-1:	C-4:	C-4:	C(CTiHHN)(OTiC)(H)2	H(CCHO)	H(CCHO)	C(CTiHHN)(OTiC)(H)2	H(CCHO)	H(CCHO)	108.1370	0.269	4	108.1370	0.072	4	108.4323	0.117	10	107.9112	1.980	53	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:3:1:1:	4:	4:	C-5:S-3:H-1:H-1:	C-4:	C-4:	C(CTaHHO)(STaC)(H)2	H(CCHS)	H(CCHS)	C(CTaHHO)(STaC)(H)2	H(CCHS)	H(CCHS)	108.1760	0.157	3	108.1760	0.024	3	108.1760	0.024	3	107.9112	1.980	53	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:3:1:1:	4:	4:	C[3]-5:O[3]-3:H-1:H-1:	C-4:	C-4:	C(C[3]O[3,3,4]O[3,3]HH)(O[3]C[3,3]C[3x3])(H)2	H(CC[3]O[3]H)	H(CC[3]O[3]H)	C(C[3]O[3,3,4]O[3,3]HH)(O[3]C[3,3]C[3x3])(H)2	H(CC[3]O[3]H)	H(CC[3]O[3]H)	109.5170	0.000	1	109.5170	0.000	1	109.5170	0.000	1	107.9112	1.980	53	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:3:1:1:	4:	4:	C[3x3,3x5,12x6]-5:N-3:H-1:H-1:	C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(NCH)(H)2	H(CC[3x3,3x5,12x6]HN)	H(CC[3x3,3x5,12x6]HN)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(NCH)(H)2	H(CC[3x3,3x5,12x6]HN)	H(CC[3x3,3x5,12x6]HN)	108.8970	0.000	1	108.8970	0.000	1	108.5060	0.306	2	107.9112	1.980	53	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:3:1:1:	4:	4:	C[3x3,3x5,12x6]-5:N-3:H-1:H-1:	C-4:	C-4:	C(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(NCH)(H)2	H(CC[3x3,3x5,12x6]HN)	H(CC[3x3,3x5,12x6]HN)	C(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(NCH)(H)2	H(CC[3x3,3x5,12x6]HN)	H(CC[3x3,3x5,12x6]HN)	108.1150	0.000	1	108.1150	0.000	1	108.5060	0.306	2	107.9112	1.980	53	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:3:1:1:	4:	4:	C[3x3,3x5,12x6]-5:N[6]-3:H-1:H-1:	C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(N[6]C[6]2)(H)2	H(CC[3x3,3x5,12x6]N[6]H)	H(CC[3x3,3x5,12x6]N[6]H)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(N[6]C[6]2)(H)2	H(CC[3x3,3x5,12x6]N[6]H)	H(CC[3x3,3x5,12x6]N[6]H)	110.1617	1.131	3	110.1617	1.279	3	110.1617	1.279	3	107.9112	1.980	53	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:3:1:1:	4:	4:	C[3x3,4,3x5,14x6]-5:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a,6a]2)(H)2	H(CC[3x3,4,3x5,14x6]C[6a]H)	H(CC[3x3,4,3x5,14x6]C[6a]H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a,6a]2)(H)2	H(CC[3x3,4,3x5,14x6]C[6a]H)	H(CC[3x3,4,3x5,14x6]C[6a]H)	107.2560	0.000	1	107.2560	0.000	1	107.1672	5.920	11	107.9112	1.980	53	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:3:1:1:	4:	4:	C[3x3,4,3x5,14x6]-5:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)(H)2	H(CC[3x3,4,3x5,14x6]C[6a]H)	H(CC[3x3,4,3x5,14x6]C[6a]H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)(H)2	H(CC[3x3,4,3x5,14x6]C[6a]H)	H(CC[3x3,4,3x5,14x6]C[6a]H)	107.1583	2.564	10	107.1583	6.576	10	107.1672	5.920	11	107.9112	1.980	53	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:3:1:1:	4:	4:	C[3x3,4,3x5,14x6]-5:N-3:H-1:H-1:	C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NCH)(H)2	H(CC[3x3,4,3x5,14x6]HN)	H(CC[3x3,4,3x5,14x6]HN)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NCH)(H)2	H(CC[3x3,4,3x5,14x6]HN)	H(CC[3x3,4,3x5,14x6]HN)	107.5170	0.000	1	107.5170	0.000	1	107.0098	0.581	5	107.9112	1.980	53	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:3:1:1:	4:	4:	C[3x3,4,3x5,14x6]-5:N-3:H-1:H-1:	C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NHH)(H)2	H(CC[3x3,4,3x5,14x6]HN)	H(CC[3x3,4,3x5,14x6]HN)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NHH)(H)2	H(CC[3x3,4,3x5,14x6]HN)	H(CC[3x3,4,3x5,14x6]HN)	106.8830	0.817	4	106.8830	0.668	4	107.0098	0.581	5	107.9112	1.980	53	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:3:1:1:	4:	4:	C[3x3,5,5,8x6]-5:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]B[3x3,5,6x6])(C[6a]C[6a]2)(H)2	H(CC[3x3,5,5,8x6]C[6a]H)	H(CC[3x3,5,5,8x6]C[6a]H)	C(C[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]B[3x3,5,6x6])(C[6a]C[6a]2)(H)2	H(CC[3x3,5,5,8x6]C[6a]H)	H(CC[3x3,5,5,8x6]C[6a]H)	107.4460	0.000	1	107.4460	0.000	1	107.4460	0.000	1	107.9112	1.980	53	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:3:1:1:	4:	4:	C[4x3,4x5,4x6]-5:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(C[6a]C[6a]2)(H)2	H(CC[4x3,4x5,4x6]C[6a]H)	H(CC[4x3,4x5,4x6]C[6a]H)	C(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(C[6a]C[6a]2)(H)2	H(CC[4x3,4x5,4x6]C[6a]H)	H(CC[4x3,4x5,4x6]C[6a]H)	106.9690	0.000	1	106.9690	0.000	1	106.9690	0.000	1	107.9112	1.980	53	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:3:1:1:	4:	4:	P-5:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2DyO)(CC[6a]O)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2DyO)(CC[6a]O)(H)2	H(CCHP)	H(CCHP)	107.6525	0.609	2	107.6525	0.371	2	107.6545	0.254	4	107.9112	1.980	53	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:3:1:1:	4:	4:	P-5:C-3:H-1:H-1:	C-4:	C-4:	C(PC[6a]2TbO)(CC[6a]O)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2TbO)(CC[6a]O)(H)2	H(CCHP)	H(CCHP)	107.6565	0.626	2	107.6565	0.392	2	107.6545	0.254	4	107.9112	1.980	53	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	As[5,5]-5:C-4:H-1:H-1:	C-4:	C-4:	C(As[5,5]C[5,6a]2O[5]2)(CC[6a]2O)(H)2	H(CAs[5,5]CH)	H(CAs[5,5]CH)	C(As[5,5]C[5,6a]2O[5]2)(CC[6a]2O)(H)2	H(CAs[5,5]CH)	H(CAs[5,5]CH)	107.0530	0.000	1	107.0530	0.000	1	107.3390	0.164	2	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	As[5,5]-5:C-4:H-1:H-1:	C-4:	C-4:	C(As[5,5]C[5,6a]2O[5]2)(CHHO)(H)2	H(CAs[5,5]CH)	H(CAs[5,5]CH)	C(As[5,5]C[5,6a]2O[5]2)(CHHO)(H)2	H(CAs[5,5]CH)	H(CAs[5,5]CH)	107.6250	0.000	1	107.6250	0.000	1	107.3390	0.164	2	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	B-5:C-4:H-1:H-1:	C-4:	C-4:	C(BC[5]LiHH)(CC3)(H)2	H(CBCH)	H(CBCH)	C(BC[5]LiHH)(CC3)(H)2	H(CBCH)	H(CBCH)	106.9740	0.000	1	106.9740	0.000	1	107.1538	4.241	6	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	B-5:C-4:H-1:H-1:	C-4:	C-4:	C(BLaCCH)(CH3)(H)2	H(CBCH)	H(CBCH)	C(BLaCCH)(CH3)(H)2	H(CBCH)	H(CBCH)	107.0920	0.000	1	107.0920	0.000	1	107.1538	4.241	6	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	B-5:C-4:H-1:H-1:	C-4:	C-4:	C(BOs2CC)(CCHH)(H)2	H(CBCH)	H(CBCH)	C(BOs2CC)(CCHH)(H)2	H(CBCH)	H(CBCH)	108.2875	0.074	2	108.2875	0.006	2	107.1538	4.241	6	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	B-5:C-4:H-1:H-1:	C-4:	C-4:	C(BZrCCH)(CH3)(H)2	H(CBCH)	H(CBCH)	C(BZrCCH)(CH3)(H)2	H(CBCH)	H(CBCH)	106.1410	4.067	2	106.1410	16.543	2	107.1538	4.241	6	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	B[3]-5:C-4:H-1:H-1:	C-4:	C-4:	C(B[3]B[3x3]C[3,3]Ru2)(CC[6a]HH)(H)2	H(CB[3]CH)	H(CB[3]CH)	C(B[3]B[3x3]C[3,3]Ru2)(CC[6a]HH)(H)2	H(CB[3]CH)	H(CB[3]CH)	107.9410	0.000	1	107.9410	0.000	1	107.9410	0.000	1	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C-5:C-4:H-1:H-1:	C-4:	C-4:	C(CAl4)(CC3)(H)2	H(CCCH)	H(CCCH)	C(CAl4)(CC3)(H)2	H(CCCH)	H(CCCH)	106.6510	0.148	8	106.6510	0.022	8	107.4673	0.622	47	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C-5:C-4:H-1:H-1:	C-4:	C-4:	C(CCeHHN)(CHHN)(H)2	H(CCCH)	H(CCCH)	C(CCeHHN)(CHHN)(H)2	H(CCCH)	H(CCCH)	107.8560	0.118	4	107.8560	0.014	4	107.4673	0.622	47	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C-5:C-4:H-1:H-1:	C-4:	C-4:	C(CCr2HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CCr2HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	106.8965	0.202	2	106.8965	0.041	2	107.4673	0.622	47	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C-5:C-4:H-1:H-1:	C-4:	C-4:	C(CFeLiCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CFeLiCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.9290	0.000	1	107.9290	0.000	1	107.4673	0.622	47	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C-5:C-4:H-1:H-1:	C-4:	C-4:	C(CHHNW)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CHHNW)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.9368	0.045	4	107.9368	0.002	4	107.4673	0.622	47	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C-5:C-4:H-1:H-1:	C-4:	C-4:	C(CIr3C)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CIr3C)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.0200	0.076	2	108.0200	0.006	2	107.4673	0.622	47	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C-5:C-4:H-1:H-1:	C-4:	C-4:	C(CIrCHO)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CIrCHO)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.8655	0.136	2	107.8655	0.019	2	107.4673	0.622	47	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C-5:C-4:H-1:H-1:	C-4:	C-4:	C(CLaHHO)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CLaHHO)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6270	0.000	1	107.6270	0.000	1	107.4673	0.622	47	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C-5:C-4:H-1:H-1:	C-4:	C-4:	C(CLi2CC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CLi2CC)(CH3)(H)2	H(CCCH)	H(CCCH)	107.6565	0.087	4	107.6565	0.008	4	107.4673	0.622	47	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C-5:C-4:H-1:H-1:	C-4:	C-4:	C(CLi2PdC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CLi2PdC)(CH3)(H)2	H(CCCH)	H(CCCH)	107.6220	0.138	3	107.6220	0.019	3	107.4673	0.622	47	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C-5:C-4:H-1:H-1:	C-4:	C-4:	C(CLi2SiH)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CLi2SiH)(CH3)(H)2	H(CCCH)	H(CCCH)	103.3810	0.000	1	103.3810	0.000	1	107.4673	0.622	47	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C-5:C-4:H-1:H-1:	C-4:	C-4:	C(CLiCHH)(CFeCH)(H)2	H(CCCH)	H(CCCH)	C(CLiCHH)(CFeCH)(H)2	H(CCCH)	H(CCCH)	108.0440	0.000	1	108.0440	0.000	1	107.4673	0.622	47	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C-5:C-4:H-1:H-1:	C-4:	C-4:	C(CLiMgHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CLiMgHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.6370	0.318	2	107.6370	0.101	2	107.4673	0.622	47	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C-5:C-4:H-1:H-1:	C-4:	C-4:	C(CMg2HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CMg2HH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.4240	0.000	1	107.4240	0.000	1	107.4673	0.622	47	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C-5:C-4:H-1:H-1:	C-4:	C-4:	C(CMoCCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CMoCCH)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.3200	0.000	2	107.3200	0.000	2	107.4673	0.622	47	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C-5:C-4:H-1:H-1:	C-4:	C-4:	C(CNaCHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CNaCHH)(CCHH)(H)2	H(CCCH)	H(CCCH)	108.2045	0.029	2	108.2045	0.001	2	107.4673	0.622	47	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C-5:C-4:H-1:H-1:	C-4:	C-4:	C(CPd2CC)(CCHH)(H)2	H(CCCH)	H(CCCH)	C(CPd2CC)(CCHH)(H)2	H(CCCH)	H(CCCH)	107.8170	0.000	1	107.8170	0.000	1	107.4673	0.622	47	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C-5:C-4:H-1:H-1:	C-4:	C-4:	C(CTa2CC)(CH3)(H)2	H(CCCH)	H(CCCH)	C(CTa2CC)(CH3)(H)2	H(CCCH)	H(CCCH)	107.8302	0.200	6	107.8302	0.040	6	107.4673	0.622	47	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C-5:N-4:H-1:H-1:	C-4:	C-4:	C(CErHHO)(NZnCH)(H)2	H(CCHN)	H(CCHN)	C(CErHHO)(NZnCH)(H)2	H(CCHN)	H(CCHN)	107.9080	0.000	1	107.9080	0.000	1	108.4196	0.031	21	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C-5:N-4:H-1:H-1:	C-4:	C-4:	C(CTiHHN)(NTiCC)(H)2	H(CCHN)	H(CCHN)	C(CTiHHN)(NTiCC)(H)2	H(CCHN)	H(CCHN)	108.5092	0.110	6	108.5092	0.012	6	108.4196	0.031	21	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C-5:N-4:H-1:H-1:	C-4:	C-4:	C(CTiHHN)(NTiCO)(H)2	H(CCHN)	H(CCHN)	C(CTiHHN)(NTiCO)(H)2	H(CCHN)	H(CCHN)	108.8510	0.000	1	108.8510	0.000	1	108.4196	0.031	21	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C-5:N-4:H-1:H-1:	C-4:	C-4:	C(CTiHHO)(NTiCC)(H)2	H(CCHN)	H(CCHN)	C(CTiHHO)(NTiCC)(H)2	H(CCHN)	H(CCHN)	108.5180	0.000	1	108.5180	0.000	1	108.4196	0.031	21	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C-5:N-4:H-1:H-1:	C-4:	C-4:	C(CZrHHN)(NZrCC)(H)2	H(CCHN)	H(CCHN)	C(CZrHHN)(NZrCC)(H)2	H(CCHN)	H(CCHN)	108.3732	0.055	12	108.3732	0.003	12	108.4196	0.031	21	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C-5:P-4:H-1:H-1:	C-4:	C-4:	C(CRhCCH)(PRhCC)(H)2	H(CCHP)	H(CCHP)	C(CRhCCH)(PRhCC)(H)2	H(CCHP)	H(CCHP)	109.1875	0.037	2	109.1875	0.001	2	109.1875	0.001	2	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C-5:Si-4:H-1:H-1:	C-4:	C-4:	C(CThCCO)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	C(CThCCO)(SiC3)(H)2	H(CSiCH)	H(CSiCH)	107.3110	0.000	1	107.3110	0.000	1	107.3110	0.000	1	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C[3,3,5,3x6]-5:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,3,5,3x6]B[3x3,5,5,4x6]2B[5x3,5,5,6]H)(CCHH)(H)2	H(CC[3,3,5,3x6]CH)	H(CC[3,3,5,3x6]CH)	C(C[3,3,5,3x6]B[3x3,5,5,4x6]2B[5x3,5,5,6]H)(CCHH)(H)2	H(CC[3,3,5,3x6]CH)	H(CC[3,3,5,3x6]CH)	107.9440	0.000	1	107.9440	0.000	1	108.0135	0.010	2	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C[3,3,5,3x6]-5:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H)(CCHH)(H)2	H(CC[3,3,5,3x6]CH)	H(CC[3,3,5,3x6]CH)	C(C[3,3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H)(CCHH)(H)2	H(CC[3,3,5,3x6]CH)	H(CC[3,3,5,3x6]CH)	108.0830	0.000	1	108.0830	0.000	1	108.0135	0.010	2	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C[3,3,5,4x6]-5:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(CCHH)(H)2	H(CC[3,3,5,4x6]CH)	H(CC[3,3,5,4x6]CH)	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(CCHH)(H)2	H(CC[3,3,5,4x6]CH)	H(CC[3,3,5,4x6]CH)	107.3600	0.000	1	107.3600	0.000	1	107.9877	0.499	3	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C[3,3,5,4x6]-5:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(CC[3x3,5,5,7x6]HH)(H)2	H(CC[3,3,5,4x6]CH)	H(CC[3,3,5,4x6]CH)	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(CC[3x3,5,5,7x6]HH)(H)2	H(CC[3,3,5,4x6]CH)	H(CC[3,3,5,4x6]CH)	108.3015	0.639	2	108.3015	0.408	2	107.9877	0.499	3	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C[3,3,5]-5:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,3,5]B[3,3,5]C[3,3,5]B[5x3]Co)(CH3)(H)2	H(CC[3,3,5]CH)	H(CC[3,3,5]CH)	C(C[3,3,5]B[3,3,5]C[3,3,5]B[5x3]Co)(CH3)(H)2	H(CC[3,3,5]CH)	H(CC[3,3,5]CH)	107.9235	3.803	4	107.9235	14.463	4	107.9235	14.463	4	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C[3]-5:C-4:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,3]2HH)(CH3)(H)2	H(CC[3]CH)	H(CC[3]CH)	C(C[3]C[3,3]2HH)(CH3)(H)2	H(CC[3]CH)	H(CC[3]CH)	111.5790	0.000	1	111.5790	0.000	1	111.5790	0.000	1	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C[3x3,3x5,12x6]-5:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CCHH)(H)2	H(CC[3x3,3x5,12x6]CH)	H(CC[3x3,3x5,12x6]CH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CCHH)(H)2	H(CC[3x3,3x5,12x6]CH)	H(CC[3x3,3x5,12x6]CH)	102.6340	0.000	1	102.6340	0.000	1	106.3702	6.274	4	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C[3x3,3x5,12x6]-5:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CHHN)(H)2	H(CC[3x3,3x5,12x6]CH)	H(CC[3x3,3x5,12x6]CH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CHHN)(H)2	H(CC[3x3,3x5,12x6]CH)	H(CC[3x3,3x5,12x6]CH)	107.6630	0.000	1	107.6630	0.000	1	106.3702	6.274	4	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C[3x3,3x5,12x6]-5:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CN[5]HH)(H)2	H(CC[3x3,3x5,12x6]CH)	H(CC[3x3,3x5,12x6]CH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CN[5]HH)(H)2	H(CC[3x3,3x5,12x6]CH)	H(CC[3x3,3x5,12x6]CH)	107.5920	0.454	2	107.5920	0.206	2	106.3702	6.274	4	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C[3x3,4,3x5,14x6]-5:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCCH)(H)2	H(CC[3x3,4,3x5,14x6]CH)	H(CC[3x3,4,3x5,14x6]CH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCCH)(H)2	H(CC[3x3,4,3x5,14x6]CH)	H(CC[3x3,4,3x5,14x6]CH)	107.1750	0.202	4	107.1750	0.041	4	107.2740	0.052	13	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C[3x3,4,3x5,14x6]-5:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)(H)2	H(CC[3x3,4,3x5,14x6]CH)	H(CC[3x3,4,3x5,14x6]CH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)(H)2	H(CC[3x3,4,3x5,14x6]CH)	H(CC[3x3,4,3x5,14x6]CH)	107.2997	0.229	7	107.2997	0.053	7	107.2740	0.052	13	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C[3x3,4,3x5,14x6]-5:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CHHN)(H)2	H(CC[3x3,4,3x5,14x6]CH)	H(CC[3x3,4,3x5,14x6]CH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CHHN)(H)2	H(CC[3x3,4,3x5,14x6]CH)	H(CC[3x3,4,3x5,14x6]CH)	107.6290	0.000	1	107.6290	0.000	1	107.2740	0.052	13	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C[3x3,4,3x5,14x6]-5:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CN[5]HH)(H)2	H(CC[3x3,4,3x5,14x6]CH)	H(CC[3x3,4,3x5,14x6]CH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CN[5]HH)(H)2	H(CC[3x3,4,3x5,14x6]CH)	H(CC[3x3,4,3x5,14x6]CH)	107.1350	0.000	1	107.1350	0.000	1	107.2740	0.052	13	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C[3x3,4,3x5,14x6]-5:P-4:H-1:H-1:	C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PIrCC)(H)2	H(CC[3x3,4,3x5,14x6]HP)	H(CC[3x3,4,3x5,14x6]HP)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PIrCC)(H)2	H(CC[3x3,4,3x5,14x6]HP)	H(CC[3x3,4,3x5,14x6]HP)	107.8270	0.098	2	107.8270	0.010	2	107.8270	0.010	2	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C[4x3,4x5,4x6]-5:C-4:H-1:H-1:	C-4:	C-4:	C(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(CC[6a]HH)(H)2	H(CC[4x3,4x5,4x6]CH)	H(CC[4x3,4x5,4x6]CH)	C(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(CC[6a]HH)(H)2	H(CC[4x3,4x5,4x6]CH)	H(CC[4x3,4x5,4x6]CH)	107.7070	0.000	1	107.7070	0.000	1	107.7070	0.000	1	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	C[5]-5:C-4:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2PdH)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	C(C[5]C[5]2PdH)(CH3)(H)2	H(CC[5]CH)	H(CC[5]CH)	107.6270	0.000	1	107.6270	0.000	1	107.6270	0.000	1	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	Ge-5:C-4:H-1:H-1:	C-4:	C-4:	C(GeMo2CH)(CH3)(H)2	H(CGeCH)	H(CGeCH)	C(GeMo2CH)(CH3)(H)2	H(CGeCH)	H(CGeCH)	107.5790	0.119	2	107.5790	0.014	2	107.5790	0.014	2	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	Ge[3,4,4,3x5,4x6]-5:C-4:H-1:H-1:	C-4:	C-4:	C(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(CH3)(H)2	H(CGe[3,4,4,3x5,4x6]CH)	H(CGe[3,4,4,3x5,4x6]CH)	C(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(CH3)(H)2	H(CGe[3,4,4,3x5,4x6]CH)	H(CGe[3,4,4,3x5,4x6]CH)	107.5560	0.033	2	107.5560	0.001	2	107.5560	0.001	2	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	Ge[5,3x6]-5:C-4:H-1:H-1:	C-4:	C-4:	C(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CCHH)(H)2	H(CGe[5,3x6]CH)	H(CGe[5,3x6]CH)	C(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CCHH)(H)2	H(CGe[5,3x6]CH)	H(CGe[5,3x6]CH)	106.9470	0.000	1	106.9470	0.000	1	106.9470	0.000	1	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	N-5:C-4:H-1:H-1:	C-4:	C-4:	C(NLi3C)(CH3)(H)2	H(CCHN)	H(CCHN)	C(NLi3C)(CH3)(H)2	H(CCHN)	H(CCHN)	107.5795	0.366	2	107.5795	0.134	2	107.6412	0.083	5	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	N-5:C-4:H-1:H-1:	C-4:	C-4:	C(NLi3C)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NLi3C)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.3760	0.000	1	107.3760	0.000	1	107.6412	0.083	5	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	N-5:C-4:H-1:H-1:	C-4:	C-4:	C(NNiCHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	C(NNiCHH)(CHHN)(H)2	H(CCHN)	H(CCHN)	107.8355	0.213	2	107.8355	0.045	2	107.6412	0.083	5	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	Nb-5:Si-4:H-1:H-1:	C-4:	C-4:	C(NbCCOO)(SiC3)(H)2	H(CNbSiH)	H(CNbSiH)	C(NbCCOO)(SiC3)(H)2	H(CNbSiH)	H(CNbSiH)	105.7587	0.241	3	105.7587	0.058	3	105.9537	0.191	4	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	Nb-5:Si-4:H-1:H-1:	C-4:	C-4:	C(NbCl2OO)(SiC3)(H)2	H(CNbSiH)	H(CNbSiH)	C(NbCl2OO)(SiC3)(H)2	H(CNbSiH)	H(CNbSiH)	106.5390	0.000	1	106.5390	0.000	1	105.9537	0.191	4	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	Nb[6,6]-5:C-4:H-1:H-1:	C-4:	C-4:	C(Nb[6,6]N[6,6]O[6]2C)(CC[6a]CC)(H)2	H(CNb[6,6]CH)	H(CNb[6,6]CH)	C(Nb[6,6]N[6,6]O[6]2C)(CC[6a]CC)(H)2	H(CNb[6,6]CH)	H(CNb[6,6]CH)	106.3810	0.710	2	106.3810	0.504	2	106.3810	0.504	2	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	P-5:C-4:H-1:H-1:	C-4:	C-4:	C(PAlCrNN)(CCCH)(H)2	H(CCHP)	H(CCHP)	C(PAlCrNN)(CCCH)(H)2	H(CCHP)	H(CCHP)	107.4800	0.000	1	107.4800	0.000	1	107.6726	1.317	68	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	P-5:C-4:H-1:H-1:	C-4:	C-4:	C(PCCOU)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PCCOU)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.7356	0.139	5	107.7356	0.019	5	107.6726	1.317	68	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	P-5:C-4:H-1:H-1:	C-4:	C-4:	C(PC[5]FeZrC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[5]FeZrC)(CH3)(H)2	H(CCHP)	H(CCHP)	107.8446	1.525	7	107.8446	2.326	7	107.6726	1.317	68	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	P-5:C-4:H-1:H-1:	C-4:	C-4:	C(PC[5]HfRuC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[5]HfRuC)(CH3)(H)2	H(CCHP)	H(CCHP)	109.4508	0.036	6	109.4508	0.001	6	107.6726	1.317	68	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	P-5:C-4:H-1:H-1:	C-4:	C-4:	C(PC[5]Li3)(CC3)(H)2	H(CCHP)	H(CCHP)	C(PC[5]Li3)(CC3)(H)2	H(CCHP)	H(CCHP)	107.1620	0.000	1	107.1620	0.000	1	107.6726	1.317	68	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	P-5:C-4:H-1:H-1:	C-4:	C-4:	C(PC[5]MoZrC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[5]MoZrC)(CH3)(H)2	H(CCHP)	H(CCHP)	106.1520	0.469	9	106.1520	0.220	9	107.6726	1.317	68	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	P-5:C-4:H-1:H-1:	C-4:	C-4:	C(PC[5]RuZrC)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[5]RuZrC)(CH3)(H)2	H(CCHP)	H(CCHP)	109.4326	0.067	7	109.4326	0.004	7	107.6726	1.317	68	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	P-5:C-4:H-1:H-1:	C-4:	C-4:	C(PC[5]ZrCW)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PC[5]ZrCW)(CH3)(H)2	H(CCHP)	H(CCHP)	106.3180	0.226	4	106.3180	0.051	4	107.6726	1.317	68	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	P-5:C-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2OY)(CHPP)(H)2	H(CCHP)	H(CCHP)	C(PC[6a]2OY)(CHPP)(H)2	H(CCHP)	H(CCHP)	107.0700	0.000	1	107.0700	0.000	1	107.6726	1.317	68	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	P-5:C-4:H-1:H-1:	C-4:	C-4:	C(PCuPdCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	C(PCuPdCC)(CHHP)(H)2	H(CCHP)	H(CCHP)	108.2130	0.000	1	108.2130	0.000	1	107.6726	1.317	68	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	P-5:C-4:H-1:H-1:	C-4:	C-4:	C(PRuCNN)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PRuCNN)(CH3)(H)2	H(CCHP)	H(CCHP)	107.6180	0.358	2	107.6180	0.128	2	107.6726	1.317	68	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	P-5:C-4:H-1:H-1:	C-4:	C-4:	C(PThCCO)(CCHH)(H)2	H(CCHP)	H(CCHP)	C(PThCCO)(CCHH)(H)2	H(CCHP)	H(CCHP)	107.4650	0.247	21	107.4650	0.061	21	107.6726	1.317	68	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	P-5:C-4:H-1:H-1:	C-4:	C-4:	C(PZrCCO)(CH3)(H)2	H(CCHP)	H(CCHP)	C(PZrCCO)(CH3)(H)2	H(CCHP)	H(CCHP)	107.6170	0.082	3	107.6170	0.007	3	107.6726	1.317	68	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	P-5:N-4:H-1:H-1:	C-4:	C-4:	C(PEuO3)(NEuCC)(H)2	H(CHNP)	H(CHNP)	C(PEuO3)(NEuCC)(H)2	H(CHNP)	H(CHNP)	107.9117	0.030	3	107.9117	0.001	3	107.9117	0.001	3	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	P-5:P-4:H-1:H-1:	C-4:	C-4:	C(PC[6a]2PdN)(PC[6a]2Pd)(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2PdN)(PC[6a]2Pd)(H)2	H(CHPP)	H(CHPP)	109.0487	0.031	3	109.0487	0.001	3	109.0487	0.001	3	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	P-5:Si-4:H-1:H-1:	C-4:	C-4:	C(PCrFePP)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	C(PCrFePP)(SiC3)(H)2	H(CSiHP)	H(CSiHP)	107.6480	0.000	1	107.6480	0.000	1	107.6480	0.000	1	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	P[5,5]-5:C-4:H-1:H-1:	C-4:	C-4:	C(P[5,5]C[5,6a]2O[5]2)(CC[6a]2O)(H)2	H(CP[5,5]CH)	H(CP[5,5]CH)	C(P[5,5]C[5,6a]2O[5]2)(CC[6a]2O)(H)2	H(CP[5,5]CH)	H(CP[5,5]CH)	106.2340	0.503	2	106.2340	0.253	2	106.2340	0.253	2	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	P[5]-5:Si-4:H-1:H-1:	C-4:	C-4:	C(P[5]P[5]2CoFe)(SiC3)(H)2	H(CP[5]SiH)	H(CP[5]SiH)	C(P[5]P[5]2CoFe)(SiC3)(H)2	H(CP[5]SiH)	H(CP[5]SiH)	107.0620	0.000	1	107.0620	0.000	1	107.0620	0.000	1	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	Si-5:B-4:H-1:H-1:	C-4:	C-4:	C(SiZrCNO)(BC[6a]3)(H)2	H(CSiBH)	H(CSiBH)	C(SiZrCNO)(BC[6a]3)(H)2	H(CSiBH)	H(CSiBH)	106.3890	0.000	1	106.3890	0.000	1	106.3890	0.000	1	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	Si-5:C-4:H-1:H-1:	C-4:	C-4:	C(SiCCOU)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiCCOU)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.8493	0.372	3	107.8493	0.138	3	107.6390	0.088	16	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	Si-5:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[5]2ZrC)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[5]2ZrC)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	107.4530	0.193	4	107.4530	0.037	4	107.6390	0.088	16	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	Si-5:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[5]2ZrC)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[5]2ZrC)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.8768	0.279	4	107.8768	0.078	4	107.6390	0.088	16	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	Si-5:C-4:H-1:H-1:	C-4:	C-4:	C(SiC[6a]C[6]FeH)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiC[6a]C[6]FeH)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	107.5690	0.000	1	107.5690	0.000	1	107.6390	0.088	16	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	Si-5:C-4:H-1:H-1:	C-4:	C-4:	C(SiNi2CH)(CH3)(H)2	H(CSiCH)	H(CSiCH)	C(SiNi2CH)(CH3)(H)2	H(CSiCH)	H(CSiCH)	107.5355	0.135	2	107.5355	0.018	2	107.6390	0.088	16	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	Si-5:C-4:H-1:H-1:	C-4:	C-4:	C(SiTaO3)(CCCH)(H)2	H(CSiCH)	H(CSiCH)	C(SiTaO3)(CCCH)(H)2	H(CSiCH)	H(CSiCH)	107.3585	0.074	2	107.3585	0.006	2	107.6390	0.088	16	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	Si-5:N-4:H-1:H-1:	C-4:	C-4:	C(SiLiC3)(NLiCC)(H)2	H(CSiHN)	H(CSiHN)	C(SiLiC3)(NLiCC)(H)2	H(CSiHN)	H(CSiHN)	107.3160	0.000	1	107.3160	0.000	1	107.5105	0.076	2	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	Si-5:N-4:H-1:H-1:	C-4:	C-4:	C(SiLiCCN)(NLiCC)(H)2	H(CSiHN)	H(CSiHN)	C(SiLiCCN)(NLiCC)(H)2	H(CSiHN)	H(CSiHN)	107.7050	0.000	1	107.7050	0.000	1	107.5105	0.076	2	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	Si-5:P-4:H-1:H-1:	C-4:	C-4:	C(SiReCCN)(PReCC)(H)2	H(CSiHP)	H(CSiHP)	C(SiReCCN)(PReCC)(H)2	H(CSiHP)	H(CSiHP)	108.4100	0.124	2	108.4100	0.015	2	108.7821	0.242	8	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	Si-5:P-4:H-1:H-1:	C-4:	C-4:	C(SiRuCCO)(PRuCC)(H)2	H(CSiHP)	H(CSiHP)	C(SiRuCCO)(PRuCC)(H)2	H(CSiHP)	H(CSiHP)	108.4020	0.000	1	108.4020	0.000	1	108.7821	0.242	8	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	Si-5:P-4:H-1:H-1:	C-4:	C-4:	C(SiZrCCN)(PZrCC)(H)2	H(CSiHP)	H(CSiHP)	C(SiZrCCN)(PZrCC)(H)2	H(CSiHP)	H(CSiHP)	109.0070	0.501	5	109.0070	0.251	5	108.7821	0.242	8	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	Si[5,5,6]-5:C-4:H-1:H-1:	C-4:	C-4:	C(Si[5,5,6]N[5,6]2O[5]2)(CCHH)(H)2	H(CSi[5,5,6]CH)	H(CSi[5,5,6]CH)	C(Si[5,5,6]N[5,6]2O[5]2)(CCHH)(H)2	H(CSi[5,5,6]CH)	H(CSi[5,5,6]CH)	107.2530	0.141	2	107.2530	0.020	2	107.2530	0.020	2	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	Si[5]-5:N-4:H-1:H-1:	C-4:	C-4:	C(Si[5]O[5]2CF)(NCCH)(H)2	H(CSi[5]HN)	H(CSi[5]HN)	C(Si[5]O[5]2CF)(NCCH)(H)2	H(CSi[5]HN)	H(CSi[5]HN)	107.3460	2.413	2	107.3460	5.821	2	107.3460	5.821	2	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:4:1:1:	4:	4:	Si[5]-5:N[6]-4:H-1:H-1:	C-4:	C-4:	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	H(CSi[5]N[6]H)	H(CSi[5]N[6]H)	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	H(CSi[5]N[6]H)	H(CSi[5]N[6]H)	105.8983	1.388	3	105.8983	1.926	3	105.8983	1.926	3	107.6397	1.302	239	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:5:1:1:	4:	4:	P-5:P-5:H-1:H-1:	C-4:	C-4:	C(PC[6a]2OU)2(H)2	H(CHPP)	H(CHPP)	C(PC[6a]2OU)2(H)2	H(CHPP)	H(CHPP)	107.7770	0.174	2	107.7770	0.030	2	107.7147	0.013	6	107.4906	0.363	7	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:5:1:1:	4:	4:	P-5:P-5:H-1:H-1:	C-4:	C-4:	C(PDyO3)2(H)2	H(CHPP)	H(CHPP)	C(PDyO3)2(H)2	H(CHPP)	H(CHPP)	107.6175	0.062	2	107.6175	0.004	2	107.7147	0.013	6	107.4906	0.363	7	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:5:1:1:	4:	4:	P-5:P-5:H-1:H-1:	C-4:	C-4:	C(PLaO3)2(H)2	H(CHPP)	H(CHPP)	C(PLaO3)2(H)2	H(CHPP)	H(CHPP)	107.7495	0.054	2	107.7495	0.003	2	107.7147	0.013	6	107.4906	0.363	7	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	5:5:1:1:	4:	4:	Si[4]-5:Si[4]-5:H-1:H-1:	C-4:	C-4:	C(Si[4]N[4]2Cl2)2(H)2	H(CSi[4]2H)	H(CSi[4]2H)	C(Si[4]N[4]2Cl2)2(H)2	H(CSi[4]2H)	H(CSi[4]2H)	106.1460	0.000	1	106.1460	0.000	1	106.1460	0.000	1	107.4906	0.363	7	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	B[3x3,5,5,8x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(B[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]B[3x3,5,6x6]Re)(H)3	H(CB[3x3,5,5,8x6]HH)	H(CB[3x3,5,5,8x6]HH)	C(B[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]B[3x3,5,6x6]Re)(H)3	H(CB[3x3,5,5,8x6]HH)	H(CB[3x3,5,5,8x6]HH)	109.4995	0.100	2	109.4995	0.010	2	109.4995	0.010	2	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	B[5x3,3x5,11x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6])(H)3	H(CB[5x3,3x5,11x6]HH)	H(CB[5x3,3x5,11x6]HH)	C(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6])(H)3	H(CB[5x3,3x5,11x6]HH)	H(CB[5x3,3x5,11x6]HH)	109.4380	0.030	2	109.4380	0.001	2	109.4610	0.001	5	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	B[5x3,3x5,11x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]2B[5x3,5x5,5x6])(H)3	H(CB[5x3,3x5,11x6]HH)	H(CB[5x3,3x5,11x6]HH)	C(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]2B[5x3,5x5,5x6])(H)3	H(CB[5x3,3x5,11x6]HH)	H(CB[5x3,3x5,11x6]HH)	109.4763	0.016	3	109.4763	0.000	3	109.4610	0.001	5	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	B[5x3,4,9x5,6,6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6]B[4x3,4x5,4x6])(H)3	H(CB[5x3,4,9x5,6,6]HH)	H(CB[5x3,4,9x5,6,6]HH)	C(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6]B[4x3,4x5,4x6])(H)3	H(CB[5x3,4,9x5,6,6]HH)	H(CB[5x3,4,9x5,6,6]HH)	109.4915	0.049	4	109.4915	0.002	4	109.4862	0.001	34	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	B[5x3,4,9x5,6,6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6]C[4x3,4x5,4x6])(H)3	H(CB[5x3,4,9x5,6,6]HH)	H(CB[5x3,4,9x5,6,6]HH)	C(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6]C[4x3,4x5,4x6])(H)3	H(CB[5x3,4,9x5,6,6]HH)	H(CB[5x3,4,9x5,6,6]HH)	109.4914	0.032	14	109.4914	0.001	14	109.4862	0.001	34	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	B[5x3,4,9x5,6,6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4C[4x3,4x5,4x6])(H)3	H(CB[5x3,4,9x5,6,6]HH)	H(CB[5x3,4,9x5,6,6]HH)	C(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4C[4x3,4x5,4x6])(H)3	H(CB[5x3,4,9x5,6,6]HH)	H(CB[5x3,4,9x5,6,6]HH)	109.4804	0.029	16	109.4804	0.001	16	109.4862	0.001	34	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	B[5x3,5x5,14x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(B[5x3,5x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]2B[5x3,5x5,14x6])(H)3	H(CB[5x3,5x5,14x6]HH)	H(CB[5x3,5x5,14x6]HH)	C(B[5x3,5x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]2B[5x3,5x5,14x6])(H)3	H(CB[5x3,5x5,14x6]HH)	H(CB[5x3,5x5,14x6]HH)	109.4200	0.076	3	109.4200	0.006	3	109.4200	0.006	3	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	B[5x3,5x5,20x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(H)3	H(CB[5x3,5x5,20x6]HH)	H(CB[5x3,5x5,20x6]HH)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(H)3	H(CB[5x3,5x5,20x6]HH)	H(CB[5x3,5x5,20x6]HH)	109.4585	0.012	2	109.4585	0.000	2	109.4709	0.003	23	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	B[5x3,5x5,20x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(H)3	H(CB[5x3,5x5,20x6]HH)	H(CB[5x3,5x5,20x6]HH)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(H)3	H(CB[5x3,5x5,20x6]HH)	H(CB[5x3,5x5,20x6]HH)	109.4712	0.053	13	109.4712	0.003	13	109.4709	0.003	23	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	B[5x3,5x5,20x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(H)3	H(CB[5x3,5x5,20x6]HH)	H(CB[5x3,5x5,20x6]HH)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(H)3	H(CB[5x3,5x5,20x6]HH)	H(CB[5x3,5x5,20x6]HH)	109.4734	0.054	8	109.4734	0.003	8	109.4709	0.003	23	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	C-6:H-1:H-1:H-1:	C-4:	C-4:	C(CLi3CH)(H)3	H(CCHH)	H(CCHH)	C(CLi3CH)(H)3	H(CCHH)	H(CCHH)	106.7800	3.039	2	106.7800	9.236	2	106.7800	9.236	2	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	C[3]-6:H-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]H[3]HHO)(H)3	H(CC[3]HH)	H(CC[3]HH)	C(C[3]C[3]H[3]HHO)(H)3	H(CC[3]HH)	H(CC[3]HH)	109.6113	0.373	3	109.6113	0.139	3	109.6113	0.139	3	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	C[3x3,3x5,12x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Ir)(H)3	H(CC[3x3,3x5,12x6]HH)	H(CC[3x3,3x5,12x6]HH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Ir)(H)3	H(CC[3x3,3x5,12x6]HH)	H(CC[3x3,3x5,12x6]HH)	109.4770	0.080	11	109.4770	0.006	11	109.4757	0.004	42	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	C[3x3,3x5,12x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5x3,3x5,11x6]Ir)(H)3	H(CC[3x3,3x5,12x6]HH)	H(CC[3x3,3x5,12x6]HH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5x3,3x5,11x6]Ir)(H)3	H(CC[3x3,3x5,12x6]HH)	H(CC[3x3,3x5,12x6]HH)	109.5183	0.034	3	109.5183	0.001	3	109.4757	0.004	42	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	C[3x3,3x5,12x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Al)(H)3	H(CC[3x3,3x5,12x6]HH)	H(CC[3x3,3x5,12x6]HH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Al)(H)3	H(CC[3x3,3x5,12x6]HH)	H(CC[3x3,3x5,12x6]HH)	109.4677	0.026	6	109.4677	0.001	6	109.4757	0.004	42	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	C[3x3,3x5,12x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(H)3	H(CC[3x3,3x5,12x6]HH)	H(CC[3x3,3x5,12x6]HH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(H)3	H(CC[3x3,3x5,12x6]HH)	H(CC[3x3,3x5,12x6]HH)	109.4713	0.033	3	109.4713	0.001	3	109.4757	0.004	42	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	C[3x3,3x5,12x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ni)(H)3	H(CC[3x3,3x5,12x6]HH)	H(CC[3x3,3x5,12x6]HH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ni)(H)3	H(CC[3x3,3x5,12x6]HH)	H(CC[3x3,3x5,12x6]HH)	109.4712	0.065	6	109.4712	0.004	6	109.4757	0.004	42	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	C[3x3,3x5,12x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Re)(H)3	H(CC[3x3,3x5,12x6]HH)	H(CC[3x3,3x5,12x6]HH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Re)(H)3	H(CC[3x3,3x5,12x6]HH)	H(CC[3x3,3x5,12x6]HH)	109.4642	0.078	5	109.4642	0.006	5	109.4757	0.004	42	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	C[3x3,3x5,12x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Rh)(H)3	H(CC[3x3,3x5,12x6]HH)	H(CC[3x3,3x5,12x6]HH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Rh)(H)3	H(CC[3x3,3x5,12x6]HH)	H(CC[3x3,3x5,12x6]HH)	109.4770	0.040	3	109.4770	0.002	3	109.4757	0.004	42	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	C[3x3,3x5,12x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ru)(H)3	H(CC[3x3,3x5,12x6]HH)	H(CC[3x3,3x5,12x6]HH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ru)(H)3	H(CC[3x3,3x5,12x6]HH)	H(CC[3x3,3x5,12x6]HH)	109.4758	0.073	5	109.4758	0.005	5	109.4757	0.004	42	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	C[3x3,5,4x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x3,5,4x6]B[4x3,4,5,5,4x6]B[3x3,5,5,3x6]B[3x3,5,4x6]B[5x3,5,4x6]Ru)(H)3	H(CC[3x3,5,4x6]HH)	H(CC[3x3,5,4x6]HH)	C(C[3x3,5,4x6]B[4x3,4,5,5,4x6]B[3x3,5,5,3x6]B[3x3,5,4x6]B[5x3,5,4x6]Ru)(H)3	H(CC[3x3,5,4x6]HH)	H(CC[3x3,5,4x6]HH)	109.4980	0.051	2	109.4980	0.003	2	109.4980	0.003	2	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	C[3x3,5,5,7x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]Os)(H)3	H(CC[3x3,5,5,7x6]HH)	H(CC[3x3,5,5,7x6]HH)	C(C[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]Os)(H)3	H(CC[3x3,5,5,7x6]HH)	H(CC[3x3,5,5,7x6]HH)	109.4927	0.028	3	109.4927	0.001	3	109.4927	0.001	3	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	C[3x3,5,5,8x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]B[3x3,5,6x6]Sn)(H)3	H(CC[3x3,5,5,8x6]HH)	H(CC[3x3,5,5,8x6]HH)	C(C[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]B[3x3,5,6x6]Sn)(H)3	H(CC[3x3,5,5,8x6]HH)	H(CC[3x3,5,5,8x6]HH)	109.4673	0.022	3	109.4673	0.000	3	109.4673	0.000	3	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	C[3x3,5,6x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]B[3,4,3x6]Co)(H)3	H(CC[3x3,5,6x6]HH)	H(CC[3x3,5,6x6]HH)	C(C[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]B[3,4,3x6]Co)(H)3	H(CC[3x3,5,6x6]HH)	H(CC[3x3,5,6x6]HH)	109.4720	0.018	4	109.4720	0.000	4	109.4729	0.001	7	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	C[3x3,5,6x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]B[3,4,3x6]Ru)(H)3	H(CC[3x3,5,6x6]HH)	H(CC[3x3,5,6x6]HH)	C(C[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]B[3,4,3x6]Ru)(H)3	H(CC[3x3,5,6x6]HH)	H(CC[3x3,5,6x6]HH)	109.4740	0.033	3	109.4740	0.001	3	109.4729	0.001	7	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	C[3x3]-6:H-1:H-1:H-1:	C-4:	C-4:	C(C[3x3]C[3x3]C[3]H[3]2H)(H)3	H(CC[3x3]HH)	H(CC[3x3]HH)	C(C[3x3]C[3x3]C[3]H[3]2H)(H)3	H(CC[3x3]HH)	H(CC[3x3]HH)	109.4587	0.326	6	109.4587	0.106	6	109.4587	0.106	6	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	C[5x3,3x5,11x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(H)3	H(CC[5x3,3x5,11x6]HH)	H(CC[5x3,3x5,11x6]HH)	C(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(H)3	H(CC[5x3,3x5,11x6]HH)	H(CC[5x3,3x5,11x6]HH)	109.4672	0.076	12	109.4672	0.006	12	109.4727	0.005	15	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	C[5x3,3x5,11x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(C[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6])(H)3	H(CC[5x3,3x5,11x6]HH)	H(CC[5x3,3x5,11x6]HH)	C(C[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6])(H)3	H(CC[5x3,3x5,11x6]HH)	H(CC[5x3,3x5,11x6]HH)	109.4943	0.024	3	109.4943	0.001	3	109.4727	0.005	15	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	C[5x3,4x5,16x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(C[5x3,4x5,16x6]B[5x3,4x5,16x6]4B[6x3,6x5,36x6])(H)3	H(CC[5x3,4x5,16x6]HH)	H(CC[5x3,4x5,16x6]HH)	C(C[5x3,4x5,16x6]B[5x3,4x5,16x6]4B[6x3,6x5,36x6])(H)3	H(CC[5x3,4x5,16x6]HH)	H(CC[5x3,4x5,16x6]HH)	109.4760	0.024	3	109.4760	0.001	3	109.4760	0.001	3	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	C[5x3,5,5,5x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(C[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6])(H)3	H(CC[5x3,5,5,5x6]HH)	H(CC[5x3,5,5,5x6]HH)	C(C[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6])(H)3	H(CC[5x3,5,5,5x6]HH)	H(CC[5x3,5,5,5x6]HH)	109.5028	0.083	5	109.5028	0.007	5	109.5028	0.007	5	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	C[5x3,5,5,6,6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(C[5x3,5,5,6,6]B[4x3,4,5,5,5x6]B[3x3,5,5,5x6]B[5x3,5,5,4x6]B[5x3,5,5,6,6]B[3x3,5,5x6])(H)3	H(CC[5x3,5,5,6,6]HH)	H(CC[5x3,5,5,6,6]HH)	C(C[5x3,5,5,6,6]B[4x3,4,5,5,5x6]B[3x3,5,5,5x6]B[5x3,5,5,4x6]B[5x3,5,5,6,6]B[3x3,5,5x6])(H)3	H(CC[5x3,5,5,6,6]HH)	H(CC[5x3,5,5,6,6]HH)	109.4856	0.041	7	109.4856	0.002	7	109.4856	0.002	7	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	C[5x3,5x5,20x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,21x6])(H)3	H(CC[5x3,5x5,20x6]HH)	H(CC[5x3,5x5,20x6]HH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,21x6])(H)3	H(CC[5x3,5x5,20x6]HH)	H(CC[5x3,5x5,20x6]HH)	109.4870	0.017	4	109.4870	0.000	4	109.4808	0.335	168	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	C[5x3,5x5,20x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,6x5,20x6])(H)3	H(CC[5x3,5x5,20x6]HH)	H(CC[5x3,5x5,20x6]HH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,6x5,20x6])(H)3	H(CC[5x3,5x5,20x6]HH)	H(CC[5x3,5x5,20x6]HH)	109.4547	0.067	3	109.4547	0.005	3	109.4808	0.335	168	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	C[5x3,5x5,20x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(H)3	H(CC[5x3,5x5,20x6]HH)	H(CC[5x3,5x5,20x6]HH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(H)3	H(CC[5x3,5x5,20x6]HH)	H(CC[5x3,5x5,20x6]HH)	109.4816	0.610	151	109.4816	0.372	151	109.4808	0.335	168	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	C[5x3,5x5,20x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(H)3	H(CC[5x3,5x5,20x6]HH)	H(CC[5x3,5x5,20x6]HH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(H)3	H(CC[5x3,5x5,20x6]HH)	H(CC[5x3,5x5,20x6]HH)	109.4788	0.036	6	109.4788	0.001	6	109.4808	0.335	168	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	C[5x3,5x5,20x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(H)3	H(CC[5x3,5x5,20x6]HH)	H(CC[5x3,5x5,20x6]HH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(H)3	H(CC[5x3,5x5,20x6]HH)	H(CC[5x3,5x5,20x6]HH)	109.4675	0.065	4	109.4675	0.004	4	109.4808	0.335	168	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	C[5x4]-6:H-1:H-1:H-1:	C-4:	C-4:	C(C[5x4]C[3,3x4]C[3,4,4]C[3x4]C[5x4]C)(H)3	H(CC[5x4]HH)	H(CC[5x4]HH)	C(C[5x4]C[3,3x4]C[3,4,4]C[3x4]C[5x4]C)(H)3	H(CC[5x4]HH)	H(CC[5x4]HH)	109.5620	1.230	3	109.5620	1.513	3	109.5620	1.513	3	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	Ge-6:H-1:H-1:H-1:	C-4:	C-4:	C(GeTi2CCN)(H)3	H(CGeHH)	H(CGeHH)	C(GeTi2CCN)(H)3	H(CGeHH)	H(CGeHH)	109.5150	0.097	5	109.5150	0.009	5	109.5150	0.009	5	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	P-6:H-1:H-1:H-1:	C-4:	C-4:	C(PC[5]F4)(H)3	H(CHHP)	H(CHHP)	C(PC[5]F4)(H)3	H(CHHP)	H(CHHP)	109.4555	0.019	2	109.4555	0.000	2	109.4555	0.000	2	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	P[3,3,5,4x6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(P[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Fe2)(H)3	H(CP[3,3,5,4x6]HH)	H(CP[3,3,5,4x6]HH)	C(P[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Fe2)(H)3	H(CP[3,3,5,4x6]HH)	H(CP[3,3,5,4x6]HH)	110.3260	4.495	3	110.3260	20.205	3	110.3260	20.205	3	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	S[5,5]-6:H-1:H-1:H-1:	C-4:	C-4:	C(S[5,5]C[5,6a]4C)(H)3	H(CS[5,5]HH)	H(CS[5,5]HH)	C(S[5,5]C[5,6a]4C)(H)3	H(CS[5,5]HH)	H(CS[5,5]HH)	108.1507	3.954	3	108.1507	15.635	3	108.1507	15.635	3	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	Si-6:H-1:H-1:H-1:	C-4:	C-4:	C(SiAg2CCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiAg2CCN)(H)3	H(CSiHH)	H(CSiHH)	109.4658	0.050	15	109.4658	0.002	15	109.4729	0.008	63	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	Si-6:H-1:H-1:H-1:	C-4:	C-4:	C(SiCrSnCNN)(H)3	H(CSiHH)	H(CSiHH)	C(SiCrSnCNN)(H)3	H(CSiHH)	H(CSiHH)	109.4767	0.029	3	109.4767	0.001	3	109.4729	0.008	63	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	Si-6:H-1:H-1:H-1:	C-4:	C-4:	C(SiCu2CCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiCu2CCN)(H)3	H(CSiHH)	H(CSiHH)	109.4685	0.039	17	109.4685	0.002	17	109.4729	0.008	63	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	Si-6:H-1:H-1:H-1:	C-4:	C-4:	C(SiCu2CNN)(H)3	H(CSiHH)	H(CSiHH)	C(SiCu2CNN)(H)3	H(CSiHH)	H(CSiHH)	109.5050	0.020	2	109.5050	0.000	2	109.4729	0.008	63	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	Si-6:H-1:H-1:H-1:	C-4:	C-4:	C(SiCuSnCNN)(H)3	H(CSiHH)	H(CSiHH)	C(SiCuSnCNN)(H)3	H(CSiHH)	H(CSiHH)	109.4760	0.163	18	109.4760	0.026	18	109.4729	0.008	63	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	Si-6:H-1:H-1:H-1:	C-4:	C-4:	C(SiLi2CNN)(H)3	H(CSiHH)	H(CSiHH)	C(SiLi2CNN)(H)3	H(CSiHH)	H(CSiHH)	109.5125	0.033	2	109.5125	0.001	2	109.4729	0.008	63	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	Si-6:H-1:H-1:H-1:	C-4:	C-4:	C(SiRu2CCN)(H)3	H(CSiHH)	H(CSiHH)	C(SiRu2CCN)(H)3	H(CSiHH)	H(CSiHH)	109.4523	0.046	3	109.4523	0.002	3	109.4729	0.008	63	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	Si-6:H-1:H-1:H-1:	C-4:	C-4:	C(SiTi2C3)(H)3	H(CSiHH)	H(CSiHH)	C(SiTi2C3)(H)3	H(CSiHH)	H(CSiHH)	109.4833	0.014	3	109.4833	0.000	3	109.4729	0.008	63	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:1:1:1:	4:	4:	Si[5,6,6]-6:H-1:H-1:H-1:	C-4:	C-4:	C(Si[5,6,6]N[5,6]2O[6]2N)(H)3	H(CSi[5,6,6]HH)	H(CSi[5,6,6]HH)	C(Si[5,6,6]N[5,6]2O[6]2N)(H)3	H(CSi[5,6,6]HH)	H(CSi[5,6,6]HH)	109.4770	0.049	3	109.4770	0.002	3	109.4770	0.002	3	109.4633	0.395	415	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:2:1:1:	4:	4:	C[5x3,5x5,20x6]-6:O-2:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OC)(H)2	H(CC[5x3,5x5,20x6]HO)	H(CC[5x3,5x5,20x6]HO)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OC)(H)2	H(CC[5x3,5x5,20x6]HO)	H(CC[5x3,5x5,20x6]HO)	107.9990	0.338	2	107.9990	0.114	2	110.0735	5.788	4	110.0735	5.788	4	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:2:1:1:	4:	4:	C[5x3,5x5,20x6]-6:O-2:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OC[6a])(H)2	H(CC[5x3,5x5,20x6]HO)	H(CC[5x3,5x5,20x6]HO)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OC[6a])(H)2	H(CC[5x3,5x5,20x6]HO)	H(CC[5x3,5x5,20x6]HO)	112.0160	0.000	1	112.0160	0.000	1	110.0735	5.788	4	110.0735	5.788	4	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:2:1:1:	4:	4:	C[5x3,5x5,20x6]-6:O-2:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OS)(H)2	H(CC[5x3,5x5,20x6]HO)	H(CC[5x3,5x5,20x6]HO)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OS)(H)2	H(CC[5x3,5x5,20x6]HO)	H(CC[5x3,5x5,20x6]HO)	112.2800	0.000	1	112.2800	0.000	1	110.0735	5.788	4	110.0735	5.788	4	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:3:1:1:	4:	4:	B[3x3,3x5,12x6]-6:N[6]-3:H-1:H-1:	C-4:	C-4:	C(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(N[6]C[6]2)(H)2	H(CB[3x3,3x5,12x6]N[6]H)	H(CB[3x3,3x5,12x6]N[6]H)	C(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(N[6]C[6]2)(H)2	H(CB[3x3,3x5,12x6]N[6]H)	H(CB[3x3,3x5,12x6]N[6]H)	107.9730	0.000	1	107.9730	0.000	1	107.9730	0.000	1	107.3245	12.889	48	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:3:1:1:	4:	4:	B[5x3,5x5,20x6]-6:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(H)2	H(CB[5x3,5x5,20x6]C[6a]H)	H(CB[5x3,5x5,20x6]C[6a]H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(H)2	H(CB[5x3,5x5,20x6]C[6a]H)	H(CB[5x3,5x5,20x6]C[6a]H)	107.5447	0.133	3	107.5447	0.018	3	107.5447	0.018	3	107.3245	12.889	48	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:3:1:1:	4:	4:	B[6x3,4,4]-6:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(B[6x3,4,4]B[4x3,4,4]2B[6x3,4,4]2H[3x3])(C[6a]C[6a]2)(H)2	H(CB[6x3,4,4]C[6a]H)	H(CB[6x3,4,4]C[6a]H)	C(B[6x3,4,4]B[4x3,4,4]2B[6x3,4,4]2H[3x3])(C[6a]C[6a]2)(H)2	H(CB[6x3,4,4]C[6a]H)	H(CB[6x3,4,4]C[6a]H)	107.7850	0.234	6	107.7850	0.055	6	107.7850	0.055	6	107.3245	12.889	48	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:3:1:1:	4:	4:	C[3,3,4,4]-6:N[5a]-3:H-1:H-1:	C-4:	C-4:	C(C[3,3,4,4]C[3x4]2O[3,3]H[3]O[3])(N[5a]C[5a,6a]C[5a])(H)2	H(CC[3,3,4,4]N[5a]H)	H(CC[3,3,4,4]N[5a]H)	C(C[3,3,4,4]C[3x4]2O[3,3]H[3]O[3])(N[5a]C[5a,6a]C[5a])(H)2	H(CC[3,3,4,4]N[5a]H)	H(CC[3,3,4,4]N[5a]H)	109.4020	0.000	1	109.4020	0.000	1	109.4020	0.000	1	107.3245	12.889	48	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:3:1:1:	4:	4:	C[5x3,3x5,11x6]-6:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[6]C[6]N[6])(H)2	H(CC[5x3,3x5,11x6]C[6]H)	H(CC[5x3,3x5,11x6]C[6]H)	C(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[6]C[6]N[6])(H)2	H(CC[5x3,3x5,11x6]C[6]H)	H(CC[5x3,3x5,11x6]C[6]H)	111.0715	4.925	2	111.0715	24.256	2	111.0715	24.256	2	107.3245	12.889	48	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:3:1:1:	4:	4:	C[5x3,5x5,20x6]-6:C-3:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)2	H(CC[5x3,5x5,20x6]CH)	H(CC[5x3,5x5,20x6]CH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)2	H(CC[5x3,5x5,20x6]CH)	H(CC[5x3,5x5,20x6]CH)	106.9020	0.000	1	106.9020	0.000	1	104.4204	66.000	7	107.3245	12.889	48	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:3:1:1:	4:	4:	C[5x3,5x5,20x6]-6:C-3:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CNO)(H)2	H(CC[5x3,5x5,20x6]CH)	H(CC[5x3,5x5,20x6]CH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CNO)(H)2	H(CC[5x3,5x5,20x6]CH)	H(CC[5x3,5x5,20x6]CH)	103.3854	9.711	5	103.3854	94.308	5	104.4204	66.000	7	107.3245	12.889	48	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:3:1:1:	4:	4:	C[5x3,5x5,20x6]-6:C-3:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CN[5]O)(H)2	H(CC[5x3,5x5,20x6]CH)	H(CC[5x3,5x5,20x6]CH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CN[5]O)(H)2	H(CC[5x3,5x5,20x6]CH)	H(CC[5x3,5x5,20x6]CH)	107.1140	0.000	1	107.1140	0.000	1	104.4204	66.000	7	107.3245	12.889	48	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:3:1:1:	4:	4:	C[5x3,5x5,20x6]-6:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]2)(H)2	H(CC[5x3,5x5,20x6]C[6]H)	H(CC[5x3,5x5,20x6]C[6]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]2)(H)2	H(CC[5x3,5x5,20x6]C[6]H)	H(CC[5x3,5x5,20x6]C[6]H)	99.8654	0.000	1	99.8654	0.000	1	103.8097	31.115	2	107.3245	12.889	48	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:3:1:1:	4:	4:	C[5x3,5x5,20x6]-6:C[6]-3:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]N[6])(H)2	H(CC[5x3,5x5,20x6]C[6]H)	H(CC[5x3,5x5,20x6]C[6]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]N[6])(H)2	H(CC[5x3,5x5,20x6]C[6]H)	H(CC[5x3,5x5,20x6]C[6]H)	107.7540	0.000	1	107.7540	0.000	1	103.8097	31.115	2	107.3245	12.889	48	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:3:1:1:	4:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(H)2	H(CC[5x3,5x5,20x6]C[6a]H)	H(CC[5x3,5x5,20x6]C[6a]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(H)2	H(CC[5x3,5x5,20x6]C[6a]H)	H(CC[5x3,5x5,20x6]C[6a]H)	108.6825	2.563	4	108.6825	6.569	4	107.7126	2.119	13	107.3245	12.889	48	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:3:1:1:	4:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(H)2	H(CC[5x3,5x5,20x6]C[6a]H)	H(CC[5x3,5x5,20x6]C[6a]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(H)2	H(CC[5x3,5x5,20x6]C[6a]H)	H(CC[5x3,5x5,20x6]C[6a]H)	107.2380	0.000	1	107.2380	0.000	1	107.7126	2.119	13	107.3245	12.889	48	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:3:1:1:	4:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a,6a]2)(H)2	H(CC[5x3,5x5,20x6]C[6a]H)	H(CC[5x3,5x5,20x6]C[6a]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a,6a]2)(H)2	H(CC[5x3,5x5,20x6]C[6a]H)	H(CC[5x3,5x5,20x6]C[6a]H)	107.2215	0.135	4	107.2215	0.018	4	107.7126	2.119	13	107.3245	12.889	48	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:3:1:1:	4:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(H)2	H(CC[5x3,5x5,20x6]C[6a]H)	H(CC[5x3,5x5,20x6]C[6a]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(H)2	H(CC[5x3,5x5,20x6]C[6a]H)	H(CC[5x3,5x5,20x6]C[6a]H)	107.3525	0.255	4	107.3525	0.065	4	107.7126	2.119	13	107.3245	12.889	48	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:3:1:1:	4:	4:	C[5x3,5x5,20x6]-6:N-3:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCH)(H)2	H(CC[5x3,5x5,20x6]HN)	H(CC[5x3,5x5,20x6]HN)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCH)(H)2	H(CC[5x3,5x5,20x6]HN)	H(CC[5x3,5x5,20x6]HN)	107.6957	0.138	3	107.6957	0.019	3	107.8380	0.094	4	107.3245	12.889	48	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:3:1:1:	4:	4:	C[5x3,5x5,20x6]-6:N-3:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NPdC)(H)2	H(CC[5x3,5x5,20x6]HN)	H(CC[5x3,5x5,20x6]HN)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NPdC)(H)2	H(CC[5x3,5x5,20x6]HN)	H(CC[5x3,5x5,20x6]HN)	108.2650	0.000	1	108.2650	0.000	1	107.8380	0.094	4	107.3245	12.889	48	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:3:1:1:	4:	4:	C[5x3,5x5,20x6]-6:N[5]-3:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5]N[5])(H)2	H(CC[5x3,5x5,20x6]N[5]H)	H(CC[5x3,5x5,20x6]N[5]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5]N[5])(H)2	H(CC[5x3,5x5,20x6]N[5]H)	H(CC[5x3,5x5,20x6]N[5]H)	108.0065	0.054	2	108.0065	0.003	2	108.0065	0.003	2	107.3245	12.889	48	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:3:1:1:	4:	4:	C[5x3,5x5,20x6]-6:P-3:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(PC[6a]2)(H)2	H(CC[5x3,5x5,20x6]HP)	H(CC[5x3,5x5,20x6]HP)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(PC[6a]2)(H)2	H(CC[5x3,5x5,20x6]HP)	H(CC[5x3,5x5,20x6]HP)	107.6090	0.000	1	107.6090	0.000	1	107.6090	0.000	1	107.3245	12.889	48	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:3:1:1:	4:	4:	C[5x3,5x5,20x6]-6:S-3:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(SC[6a]Pd)(H)2	H(CC[5x3,5x5,20x6]HS)	H(CC[5x3,5x5,20x6]HS)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(SC[6a]Pd)(H)2	H(CC[5x3,5x5,20x6]HS)	H(CC[5x3,5x5,20x6]HS)	108.1820	0.304	2	108.1820	0.092	2	108.1820	0.092	2	107.3245	12.889	48	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:3:1:1:	4:	4:	C[5x3,5x5,20x6]-6:Se-3:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(SeC[6a]Pd)(H)2	H(CC[5x3,5x5,20x6]SeH)	H(CC[5x3,5x5,20x6]SeH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(SeC[6a]Pd)(H)2	H(CC[5x3,5x5,20x6]SeH)	H(CC[5x3,5x5,20x6]SeH)	108.1490	0.214	2	108.1490	0.046	2	108.1490	0.046	2	107.3245	12.889	48	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:3:1:1:	4:	4:	Nb[3,4]-6:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(Nb[3,4]C[3,6]C[3]N[4]2N)(C[6a]C[6a]2)(H)2	H(CNb[3,4]C[6a]H)	H(CNb[3,4]C[6a]H)	C(Nb[3,4]C[3,6]C[3]N[4]2N)(C[6a]C[6a]2)(H)2	H(CNb[3,4]C[6a]H)	H(CNb[3,4]C[6a]H)	109.1570	0.000	1	109.1570	0.000	1	109.1570	0.000	1	107.3245	12.889	48	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:3:1:1:	4:	4:	Nb[3x6]-6:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(Nb[3x6]N[5,6,6]3ClN)(C[6a]C[6a]2)(H)2	H(CNb[3x6]C[6a]H)	H(CNb[3x6]C[6a]H)	C(Nb[3x6]N[5,6,6]3ClN)(C[6a]C[6a]2)(H)2	H(CNb[3x6]C[6a]H)	H(CNb[3x6]C[6a]H)	107.0940	0.000	1	107.0940	0.000	1	107.0940	0.000	1	107.3245	12.889	48	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	B[3x3,3x5,12x6]-6:P-4:H-1:H-1:	C-4:	C-4:	C(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(PC[6a]3)(H)2	H(CB[3x3,3x5,12x6]HP)	H(CB[3x3,3x5,12x6]HP)	C(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(PC[6a]3)(H)2	H(CB[3x3,3x5,12x6]HP)	H(CB[3x3,3x5,12x6]HP)	106.6340	0.000	1	106.6340	0.000	1	106.6340	0.000	1	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	B[3x3]-6:C-4:H-1:H-1:	C-4:	C-4:	C(B[3x3]C[3,3]2B[3]2Ru)(CC[6a]HH)(H)2	H(CB[3x3]CH)	H(CB[3x3]CH)	C(B[3x3]C[3,3]2B[3]2Ru)(CC[6a]HH)(H)2	H(CB[3x3]CH)	H(CB[3x3]CH)	107.6840	0.000	1	107.6840	0.000	1	107.6840	0.000	1	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	B[4x3,5,4x6]-6:C-4:H-1:H-1:	C-4:	C-4:	C(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(CCHH)(H)2	H(CB[4x3,5,4x6]CH)	H(CB[4x3,5,4x6]CH)	C(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(CCHH)(H)2	H(CB[4x3,5,4x6]CH)	H(CB[4x3,5,4x6]CH)	107.9130	0.000	1	107.9130	0.000	1	107.9130	0.000	1	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	B[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:	C-4:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]HH)(H)2	H(CB[5x3,5x5,20x6]CH)	H(CB[5x3,5x5,20x6]CH)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]HH)(H)2	H(CB[5x3,5x5,20x6]CH)	H(CB[5x3,5x5,20x6]CH)	107.5235	0.011	2	107.5235	0.000	2	107.5235	0.000	2	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	C[3,3]-6:C-4:H-1:H-1:	C-4:	C-4:	C(C[3,3]C[3,3]2H[3]HH)(CH3)(H)2	H(CC[3,3]CH)	H(CC[3,3]CH)	C(C[3,3]C[3,3]2H[3]HH)(CH3)(H)2	H(CC[3,3]CH)	H(CC[3,3]CH)	108.0450	0.000	1	108.0450	0.000	1	108.0450	0.000	1	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	C[3x3,3x5,12x6]-6:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(CHHO)(H)2	H(CC[3x3,3x5,12x6]CH)	H(CC[3x3,3x5,12x6]CH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(CHHO)(H)2	H(CC[3x3,3x5,12x6]CH)	H(CC[3x3,3x5,12x6]CH)	107.4520	0.000	1	107.4520	0.000	1	107.4413	0.092	6	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	C[3x3,3x5,12x6]-6:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Rh)(CN[5]HH)(H)2	H(CC[3x3,3x5,12x6]CH)	H(CC[3x3,3x5,12x6]CH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Rh)(CN[5]HH)(H)2	H(CC[3x3,3x5,12x6]CH)	H(CC[3x3,3x5,12x6]CH)	107.5060	0.000	1	107.5060	0.000	1	107.4413	0.092	6	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	C[3x3,3x5,12x6]-6:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ta)(CHHN)(H)2	H(CC[3x3,3x5,12x6]CH)	H(CC[3x3,3x5,12x6]CH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ta)(CHHN)(H)2	H(CC[3x3,3x5,12x6]CH)	H(CC[3x3,3x5,12x6]CH)	107.4555	0.120	2	107.4555	0.014	2	107.4413	0.092	6	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	C[3x3,3x5,12x6]-6:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ta)(CHHO)(H)2	H(CC[3x3,3x5,12x6]CH)	H(CC[3x3,3x5,12x6]CH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ta)(CHHO)(H)2	H(CC[3x3,3x5,12x6]CH)	H(CC[3x3,3x5,12x6]CH)	107.3895	0.658	2	107.3895	0.433	2	107.4413	0.092	6	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	C[3x3,3x5,12x6]-6:N-4:H-1:H-1:	C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Al)(NAlCC)(H)2	H(CC[3x3,3x5,12x6]HN)	H(CC[3x3,3x5,12x6]HN)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Al)(NAlCC)(H)2	H(CC[3x3,3x5,12x6]HN)	H(CC[3x3,3x5,12x6]HN)	109.0487	0.079	6	109.0487	0.006	6	109.0487	0.006	6	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	C[3x3,5,5,7x6]-6:C-4:H-1:H-1:	C-4:	C-4:	C(C[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]Fe)(CC[3,3,5,4x6]HH)(H)2	H(CC[3x3,5,5,7x6]CH)	H(CC[3x3,5,5,7x6]CH)	C(C[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]Fe)(CC[3,3,5,4x6]HH)(H)2	H(CC[3x3,5,5,7x6]CH)	H(CC[3x3,5,5,7x6]CH)	107.2810	1.175	2	107.2810	1.381	2	107.2810	1.381	2	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	C[5x3,3x5,11x6]-6:C-4:H-1:H-1:	C-4:	C-4:	C(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(CN[5]HH)(H)2	H(CC[5x3,3x5,11x6]CH)	H(CC[5x3,3x5,11x6]CH)	C(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(CN[5]HH)(H)2	H(CC[5x3,3x5,11x6]CH)	H(CC[5x3,3x5,11x6]CH)	107.3770	0.000	1	107.3770	0.000	1	107.3770	0.000	1	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)(H)2	H(CC[5x3,5x5,20x6]CH)	H(CC[5x3,5x5,20x6]CH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)(H)2	H(CC[5x3,5x5,20x6]CH)	H(CC[5x3,5x5,20x6]CH)	107.2272	0.166	4	107.2272	0.028	4	107.3723	0.053	18	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)(H)2	H(CC[5x3,5x5,20x6]CH)	H(CC[5x3,5x5,20x6]CH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)(H)2	H(CC[5x3,5x5,20x6]CH)	H(CC[5x3,5x5,20x6]CH)	107.5740	0.000	1	107.5740	0.000	1	107.3723	0.053	18	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CHHN)(H)2	H(CC[5x3,5x5,20x6]CH)	H(CC[5x3,5x5,20x6]CH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CHHN)(H)2	H(CC[5x3,5x5,20x6]CH)	H(CC[5x3,5x5,20x6]CH)	107.6720	0.000	1	107.6720	0.000	1	107.3723	0.053	18	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CHHS)(H)2	H(CC[5x3,5x5,20x6]CH)	H(CC[5x3,5x5,20x6]CH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CHHS)(H)2	H(CC[5x3,5x5,20x6]CH)	H(CC[5x3,5x5,20x6]CH)	107.5420	0.000	1	107.5420	0.000	1	107.3723	0.053	18	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CN[5]HH)(H)2	H(CC[5x3,5x5,20x6]CH)	H(CC[5x3,5x5,20x6]CH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CN[5]HH)(H)2	H(CC[5x3,5x5,20x6]CH)	H(CC[5x3,5x5,20x6]CH)	107.5613	0.093	3	107.5613	0.009	3	107.3723	0.053	18	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CZrHP)(H)2	H(CC[5x3,5x5,20x6]CH)	H(CC[5x3,5x5,20x6]CH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CZrHP)(H)2	H(CC[5x3,5x5,20x6]CH)	H(CC[5x3,5x5,20x6]CH)	107.4550	0.000	1	107.4550	0.000	1	107.3723	0.053	18	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)(H)2	H(CC[5x3,5x5,20x6]CH)	H(CC[5x3,5x5,20x6]CH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)(H)2	H(CC[5x3,5x5,20x6]CH)	H(CC[5x3,5x5,20x6]CH)	107.2037	0.227	3	107.2037	0.052	3	107.3723	0.053	18	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CC[6a]HH)(H)2	H(CC[5x3,5x5,20x6]CH)	H(CC[5x3,5x5,20x6]CH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CC[6a]HH)(H)2	H(CC[5x3,5x5,20x6]CH)	H(CC[5x3,5x5,20x6]CH)	107.4067	0.256	3	107.4067	0.066	3	107.3723	0.053	18	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CH3)(H)2	H(CC[5x3,5x5,20x6]CH)	H(CC[5x3,5x5,20x6]CH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CH3)(H)2	H(CC[5x3,5x5,20x6]CH)	H(CC[5x3,5x5,20x6]CH)	107.0350	0.000	1	107.0350	0.000	1	107.3723	0.053	18	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	C[5x3,5x5,20x6]-6:N-4:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC3)(H)2	H(CC[5x3,5x5,20x6]HN)	H(CC[5x3,5x5,20x6]HN)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC3)(H)2	H(CC[5x3,5x5,20x6]HN)	H(CC[5x3,5x5,20x6]HN)	106.8195	0.081	2	106.8195	0.007	2	107.1093	0.255	3	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	C[5x3,5x5,20x6]-6:N-4:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]HH)(H)2	H(CC[5x3,5x5,20x6]HN)	H(CC[5x3,5x5,20x6]HN)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]HH)(H)2	H(CC[5x3,5x5,20x6]HN)	H(CC[5x3,5x5,20x6]HN)	107.6890	0.000	1	107.6890	0.000	1	107.1093	0.255	3	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	C[5x3,5x5,20x6]-6:P-4:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(PAuCC)(H)2	H(CC[5x3,5x5,20x6]HP)	H(CC[5x3,5x5,20x6]HP)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(PAuCC)(H)2	H(CC[5x3,5x5,20x6]HP)	H(CC[5x3,5x5,20x6]HP)	107.1347	0.126	3	107.1347	0.016	3	107.1347	0.016	3	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	C[5x3,5x5,20x6]-6:Si-4:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(SiCCO)(H)2	H(CC[5x3,5x5,20x6]SiH)	H(CC[5x3,5x5,20x6]SiH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(SiCCO)(H)2	H(CC[5x3,5x5,20x6]SiH)	H(CC[5x3,5x5,20x6]SiH)	106.7270	0.041	2	106.7270	0.002	2	106.7060	0.003	4	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	C[5x3,5x5,20x6]-6:Si-4:H-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(SiC[6a]CC)(H)2	H(CC[5x3,5x5,20x6]SiH)	H(CC[5x3,5x5,20x6]SiH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(SiC[6a]CC)(H)2	H(CC[5x3,5x5,20x6]SiH)	H(CC[5x3,5x5,20x6]SiH)	106.6850	0.078	2	106.6850	0.006	2	106.7060	0.003	4	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	Nb[3x6]-6:C-4:H-1:H-1:	C-4:	C-4:	C(Nb[3x6]N[5,6,6]3ClN)(CC[6a]CC)(H)2	H(CNb[3x6]CH)	H(CNb[3x6]CH)	C(Nb[3x6]N[5,6,6]3ClN)(CC[6a]CC)(H)2	H(CNb[3x6]CH)	H(CNb[3x6]CH)	95.8166	0.000	1	95.8166	0.000	1	95.8166	0.000	1	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	6:4:1:1:	4:	4:	P[4x6]-6:C-4:H-1:H-1:	C-4:	C-4:	C(P[4x6]N[5a,6,6]4O)(CH3)(H)2	H(CP[4x6]CH)	H(CP[4x6]CH)	C(P[4x6]N[5a,6,6]4O)(CH3)(H)2	H(CP[4x6]CH)	H(CP[4x6]CH)	107.0720	0.000	1	107.0720	0.000	1	107.0720	0.000	1	107.2813	3.140	51	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	7:1:1:1:	4:	4:	P-7:H-1:H-1:H-1:	C-4:	C-4:	C(PO3V3)(H)3	H(CHHP)	H(CHHP)	C(PO3V3)(H)3	H(CHHP)	H(CHHP)	109.4716	0.068	5	109.4716	0.005	5	109.4716	0.005	5	109.4716	0.005	5	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	7:3:1:1:	4:	4:	Nb[3,3x6]-7:C[6a]-3:H-1:H-1:	C-4:	C-4:	C(Nb[3,3x6]N[5,6,6]3C[3]3)(C[6a]C[6a]2)(H)2	H(CNb[3,3x6]C[6a]H)	H(CNb[3,3x6]C[6a]H)	C(Nb[3,3x6]N[5,6,6]3C[3]3)(C[6a]C[6a]2)(H)2	H(CNb[3,3x6]C[6a]H)	H(CNb[3,3x6]C[6a]H)	105.3270	0.000	1	105.3270	0.000	1	105.3270	0.000	1	105.3270	0.000	1	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	7:4:1:1:	4:	4:	Si-7:C-4:H-1:H-1:	C-4:	C-4:	C(SiTiO3WW)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	C(SiTiO3WW)(CCHH)(H)2	H(CSiCH)	H(CSiCH)	107.1997	0.413	3	107.1997	0.171	3	107.1997	0.171	3	107.1997	0.171	3	109.1367	2.108	1215140	109.1367	2.108	1215140
490	951	951	0:SP3_SP-NON_SP-NON	C	H	H	8:1:1:1:	4:	4:	Nb[5x3]-8:H-1:H-1:H-1:	C-4:	C-4:	C(Nb[5x3]C[3,3,5]5NN)(H)3	H(CNb[5x3]HH)	H(CNb[5x3]HH)	C(Nb[5x3]C[3,3,5]5NN)(H)3	H(CNb[5x3]HH)	H(CNb[5x3]HH)	109.4673	0.110	3	109.4673	0.012	3	109.4673	0.012	3	109.4673	0.012	3	109.1367	2.108	1215140	109.1367	2.108	1215140